(2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide

C110H148N48O7 — CID 158711099

IUPAC(2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide
SMILESCC(=O)OC[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CC(C)NC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CCCNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CCCNC(=O)[C@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCN)NC4)nc23)cn1
InChIInChI=1S/3C19H26N8O.C18H25N9O.C18H23N7O2.C17H22N8O/c1-11(2)24-19(28)15-5-4-12(7-21-15)16-6-17(20)27-18(25-16)14(9-23-27)13-8-22-26(3)10-13;2*1-3-6-21-19(28)15-5-4-12(8-22-15)16-7-17(20)27-18(25-16)14(10-24-27)13-9-23-26(2)11-13;1-26-10-12(8-23-26)13-9-24-27-16(20)6-15(25-17(13)27)11-2-3-14(22-7-11)18(28)21-5-4-19;1-11(26)27-10-14-4-3-12(6-20-14)16-5-17(19)25-18(23-16)15(8-22-25)13-7-21-24(2)9-13;1-19-17(26)13-4-3-10(6-20-13)14-5-15(18)25-16(23-14)12(8-22-25)11-7-21-24(2)9-11/h6,8-12,15,21H,4-5,7,20H2,1-3H3,(H,24,28);2*7,9-12,15,22H,3-6,8,20H2,1-2H3,(H,21,28);6,8-11,14,22H,2-5,7,19-20H2,1H3,(H,21,28);5,7-9,12,14,20H,3-4,6,10,19H2,1-2H3;5,7-10,13,20H,3-4,6,18H2,1-2H3,(H,19,26)/t12-,15-;12-,15+;12-,15-;11-,14-;12-,14-;10-,13-/m000000/s1
InChIKeyIISNJICHCDQJIH-YUJLJRLLSA-N
MW2254.72 g/mol
LogP4.25
Rot. Bonds26

About (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide

(2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide (PubChem CID 158711099) has the molecular formula C110H148N48O7 and a molecular weight of 2254.72 g/mol. Its IUPAC name is (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide
PubChem CID158711099
Molecular FormulaC110H148N48O7
Molecular Weight2254.72 g/mol
Exact Mass2253.27
IUPAC Name(2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide
SMILESCC(=O)OC[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CC(C)NC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CCCNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CCCNC(=O)[C@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCN)NC4)nc23)cn1
InChIInChI=1S/3C19H26N8O.C18H25N9O.C18H23N7O2.C17H22N8O/c1-11(2)24-19(28)15-5-4-12(7-21-15)16-6-17(20)27-18(25-16)14(9-23-27)13-8-22-26(3)10-13;2*1-3-6-21-19(28)15-5-4-12(8-22-15)16-7-17(20)27-18(25-16)14(10-24-27)13-9-23-26(2)11-13;1-26-10-12(8-23-26)13-9-24-27-16(20)6-15(25-17(13)27)11-2-3-14(22-7-11)18(28)21-5-4-19;1-11(26)27-10-14-4-3-12(6-20-14)16-5-17(19)25-18(23-16)15(8-22-25)13-7-21-24(2)9-13;1-19-17(26)13-4-3-10(6-20-13)14-5-15(18)25-16(23-14)12(8-22-25)11-7-21-24(2)9-11/h6,8-12,15,21H,4-5,7,20H2,1-3H3,(H,24,28);2*7,9-12,15,22H,3-6,8,20H2,1-2H3,(H,21,28);6,8-11,14,22H,2-5,7,19-20H2,1H3,(H,21,28);5,7-9,12,14,20H,3-4,6,10,19H2,1-2H3;5,7-10,13,20H,3-4,6,18H2,1-2H3,(H,19,26)/t12-,15-;12-,15+;12-,15-;11-,14-;12-,14-;10-,13-/m000000/s1
InChIKeyIISNJICHCDQJIH-YUJLJRLLSA-N
XLogP4.25
TPSA714.18 Ų
H-Bond Donors18
H-Bond Acceptors50
Rotatable Bonds26
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002254.72
LogP ≤ 54.25
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1050

Analyze (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[2-[5-(3-Aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-4-[[5-[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1-(difluoromethyl)pyrazolidin-3-yl]methyl]piperidin-1-yl]-[2-(5-ethylnonan-4-yl)-1,1,6-trimethyl-3-(methylaminomethyl)piperidin-1-ium-4-yl]methanone
CID 123264315
ethyl 3-[[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carbonyl]amino]propanoate
CID 24821690
methyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 57891232
2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]propan-2-yl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 58837309
(2S,5S)-5-[7-amino-3-[1-[[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methoxy]-2-methylpyrazol-2-ium-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 58837311
(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[4-[(1E)-1-[4-amino-6-[(3S)-piperidin-3-yl]-1H-pyrimidin-2-ylidene]ethyl]-2-methylpyrazol-2-ium-1-yl]-N-methylpiperidine-2-carboxamide
CID 58837312
2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]propan-2-yl (2S,5S)-5-[7-amino-3-[1-[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carbonyl]oxy-2-methylpyrazol-2-ium-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 58853397
1-[(2S,5S)-5-[7-[[4-[7-amino-5-[(3S,6S)-6-[[[4-[7-amino-5-[(3S,6S)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrazol-2-ium-1-yl]amino]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanone
CID 58853410
(2S,5S)-5-[7-amino-3-[1-[[(2S,5S)-5-[7-amino-3-[1-[[3-(1-methylpyrazol-4-yl)-5-[(3S,6R)-6-(propylcarbamoyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carbonyl]-methylamino]-2-methylpyrazol-2-ium-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide
CID 58853450
Methyl 5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 68074581
2-[4-(7-Amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]propan-2-yl 5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 72440012
2-[4-[7-amino-6-bromo-5-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]propan-2-yl (2S,5S)-5-[7-amino-3-[1-[[5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 89718050

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide?
The IUPAC name of (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide (CID 158711099) is (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide?
The canonical SMILES for (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide is CC(=O)OC[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CC(C)NC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CCCNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CCCNC(=O)[C@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.CNC(=O)[C@@H]1CC[C@H](c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCN)NC4)nc23)cn1.
What is the InChIKey of (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide?
The InChIKey is IISNJICHCDQJIH-YUJLJRLLSA-N. The full InChI is InChI=1S/3C19H26N8O.C18H25N9O.C18H23N7O2.C17H22N8O/c1-11(2)24-19(28)15-5-4-12(7-21-15)16-6-17(20)27-18(25-16)14(9-23-27)13-8-22-26(3)10-13;2*1-3-6-21-19(28)15-5-4-12(8-22-15)16-7-17(20)27-18(25-16)14(10-24-27)13-9-23-26(2)11-13;1-26-10-12(8-23-26)13-9-24-27-16(20)6-15(25-17(13)27)11-2-3-14(22-7-11)18(28)21-5-4-19;1-11(26)27-10-14-4-3-12(6-20-14)16-5-17(19)25-18(23-16)15(8-22-25)13-7-21-24(2)9-13;1-19-17(26)13-4-3-10(6-20-13)14-5-15(18)25-16(23-14)12(8-22-25)11-7-21-24(2)9-11/h6,8-12,15,21H,4-5,7,20H2,1-3H3,(H,24,28);2*7,9-12,15,22H,3-6,8,20H2,1-2H3,(H,21,28);6,8-11,14,22H,2-5,7,19-20H2,1H3,(H,21,28);5,7-9,12,14,20H,3-4,6,10,19H2,1-2H3;5,7-10,13,20H,3-4,6,18H2,1-2H3,(H,19,26)/t12-,15-;12-,15+;12-,15-;11-,14-;12-,14-;10-,13-/m000000/s1.
What are the key properties of (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide?
(2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide has a molecular weight of 2254.72 g/mol, XLogP of 4.25, 26 rotatable bonds, 18 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide;[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methyl acetate;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide;(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide;(2R,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylpiperidine-2-carboxamide is sourced from PubChem (CID 158711099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).