N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide

C35H47N17O2 — CID 143656313

IUPACN-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.Cn1cc(-c2cnn3c(N)cc(C4CCC(C(=O)NCCN)NC4)nc23)cn1
InChIInChI=1S/C18H25N9O.C17H22N8O/c1-26-10-12(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;1-19-17(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/h6,8-11,14,22H,2-5,7,19-20H2,1H3,(H,21,28);5,7-10,13,20H,3-4,6,18H2,1-2H3,(H,19,26)
InChIKeyZPHBSFQEJZFQDF-UHFFFAOYSA-N
MW737.88 g/mol
LogP-0.08
Rot. Bonds8

About N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide

N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide (PubChem CID 143656313) has the molecular formula C35H47N17O2 and a molecular weight of 737.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide
PubChem CID143656313
Molecular FormulaC35H47N17O2
Molecular Weight737.88 g/mol
Exact Mass737.41
IUPAC NameN-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.Cn1cc(-c2cnn3c(N)cc(C4CCC(C(=O)NCCN)NC4)nc23)cn1
InChIInChI=1S/C18H25N9O.C17H22N8O/c1-26-10-12(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;1-19-17(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/h6,8-11,14,22H,2-5,7,19-20H2,1H3,(H,21,28);5,7-10,13,20H,3-4,6,18H2,1-2H3,(H,19,26)
InChIKeyZPHBSFQEJZFQDF-UHFFFAOYSA-N
XLogP-0.08
TPSA256.34 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.88
LogP ≤ 5-0.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide with MolForge

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Related Compounds

US10189836, Example 66
CID 129269791
US10189836, Example 64
CID 129269793
US10544143, Example 561
CID 138686516
US10544143, Example 563
CID 138686674
US10189836, Example 42
CID 129269869
US10730877, Example 773
CID 138686644
US10730877, Example 785
CID 138687003
US10730877, Example 772
CID 138687013
US10730877, Example 784
CID 138725447
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-fluoro-7-methyl-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 89687929
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-fluoro-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 89688083
[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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide (CID 143656313) is N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CN1.Cn1cc(-c2cnn3c(N)cc(C4CCC(C(=O)NCCN)NC4)nc23)cn1.
What is the InChIKey of N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide?
The InChIKey is ZPHBSFQEJZFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N9O.C17H22N8O/c1-26-10-12(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;1-19-17(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/h6,8-11,14,22H,2-5,7,19-20H2,1H3,(H,21,28);5,7-10,13,20H,3-4,6,18H2,1-2H3,(H,19,26).
What are the key properties of N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide?
N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide has a molecular weight of 737.88 g/mol, XLogP of -0.08, 8 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 143656313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).