5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C113H147BrN48O — CID 158574730

IUPAC5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(c1cc(N)n2ncc(-c3cnn(C)c3)c2n1)C1CCCNC1.Cn1cc(-c2cnn3c(N)c(Br)c(CCC4CCCCN4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CCNCC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CCC4CCCCN4)nc23)cn1
InChIInChI=1S/C17H22BrN7.2C17H23N7.C17H22N6.C16H21N7.C15H19N7O.C14H17N7/c1-24-10-11(8-21-24)13-9-22-25-16(19)15(18)14(23-17(13)25)6-5-12-4-2-3-7-20-12;1-11(12-4-3-5-19-7-12)15-6-16(18)24-17(22-15)14(9-21-24)13-8-20-23(2)10-13;1-23-11-12(9-20-23)15-10-21-24-16(18)8-14(22-17(15)24)6-5-13-4-2-3-7-19-13;1-22-11-13(9-19-22)15-10-20-23-16(18)8-14(21-17(15)23)7-12-5-3-2-4-6-12;1-22-10-12(8-19-22)14-9-20-23-15(17)7-13(21-16(14)23)6-11-2-4-18-5-3-11;1-21-9-10(6-18-21)13-8-19-22-14(16)5-11(20-15(13)22)4-12-7-17-2-3-23-12;1-20-8-10(6-17-20)12-7-18-21-13(15)3-11(19-14(12)21)2-9-4-16-5-9/h8-10,12,20H,2-7,19H2,1H3;6,8-12,19H,3-5,7,18H2,1-2H3;8-11,13,19H,2-7,18H2,1H3;8-12H,2-7,18H2,1H3;7-11,18H,2-6,17H2,1H3;5-6,8-9,12,17H,2-4,7,16H2,1H3;3,6-9,16H,2,4-5,15H2,1H3
InChIKeyHSNDFEIZDIYCMF-UHFFFAOYSA-N
MW2273.66 g/mol
LogP10.96
Rot. Bonds23

About 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158574730) has the molecular formula C113H147BrN48O and a molecular weight of 2273.66 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158574730
Molecular FormulaC113H147BrN48O
Molecular Weight2273.66 g/mol
Exact Mass2271.21
IUPAC Name5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(c1cc(N)n2ncc(-c3cnn(C)c3)c2n1)C1CCCNC1.Cn1cc(-c2cnn3c(N)c(Br)c(CCC4CCCCN4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CCNCC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CCC4CCCCN4)nc23)cn1
InChIInChI=1S/C17H22BrN7.2C17H23N7.C17H22N6.C16H21N7.C15H19N7O.C14H17N7/c1-24-10-11(8-21-24)13-9-22-25-16(19)15(18)14(23-17(13)25)6-5-12-4-2-3-7-20-12;1-11(12-4-3-5-19-7-12)15-6-16(18)24-17(22-15)14(9-21-24)13-8-20-23(2)10-13;1-23-11-12(9-20-23)15-10-21-24-16(18)8-14(22-17(15)24)6-5-13-4-2-3-7-19-13;1-22-11-13(9-19-22)15-10-20-23-16(18)8-14(21-17(15)23)7-12-5-3-2-4-6-12;1-22-10-12(8-19-22)14-9-20-23-15(17)7-13(21-16(14)23)6-11-2-4-18-5-3-11;1-21-9-10(6-18-21)13-8-19-22-14(16)5-11(20-15(13)22)4-12-7-17-2-3-23-12;1-20-8-10(6-17-20)12-7-18-21-13(15)3-11(19-14(12)21)2-9-4-16-5-9/h8-10,12,20H,2-7,19H2,1H3;6,8-12,19H,3-5,7,18H2,1-2H3;8-11,13,19H,2-7,18H2,1H3;8-12H,2-7,18H2,1H3;7-11,18H,2-6,17H2,1H3;5-6,8-9,12,17H,2-4,7,16H2,1H3;3,6-9,16H,2,4-5,15H2,1H3
InChIKeyHSNDFEIZDIYCMF-UHFFFAOYSA-N
XLogP10.96
TPSA599.62 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002273.66
LogP ≤ 510.96
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Analyze 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(1,4-Dioxa-8-azaspiro[4.5]decan-6-yl)-3-[1-methyl-2-[7-(piperidin-4-ylamino)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]pyrazol-1-ium-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58837307
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
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
N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 123452156
6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 123738750
6-bromo-3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-piperidin-4-yl-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 123830453
1-[5-[(4-aminocyclohexyl)amino]-3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-2-yl]-2-[(2S)-1-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]propan-2-ol
CID 142870327
6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143440008
6-bromo-N-methyl-5-(morpholin-2-ylmethyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methyl 5-[7-amino-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 143656290
5-[6-[(Z)-2-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethenyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143891352
6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(E)-2-phenylethenyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 145500684
5-[6-[(Z)-3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]morpholin-2-yl]-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145500841

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158574730) is 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(c1cc(N)n2ncc(-c3cnn(C)c3)c2n1)C1CCCNC1.Cn1cc(-c2cnn3c(N)c(Br)c(CCC4CCCCN4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CCNCC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CC4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(CCC4CCCCN4)nc23)cn1.
What is the InChIKey of 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HSNDFEIZDIYCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN7.2C17H23N7.C17H22N6.C16H21N7.C15H19N7O.C14H17N7/c1-24-10-11(8-21-24)13-9-22-25-16(19)15(18)14(23-17(13)25)6-5-12-4-2-3-7-20-12;1-11(12-4-3-5-19-7-12)15-6-16(18)24-17(22-15)14(9-21-24)13-8-20-23(2)10-13;1-23-11-12(9-20-23)15-10-21-24-16(18)8-14(22-17(15)24)6-5-13-4-2-3-7-19-13;1-22-11-13(9-19-22)15-10-20-23-16(18)8-14(21-17(15)23)7-12-5-3-2-4-6-12;1-22-10-12(8-19-22)14-9-20-23-15(17)7-13(21-16(14)23)6-11-2-4-18-5-3-11;1-21-9-10(6-18-21)13-8-19-22-14(16)5-11(20-15(13)22)4-12-7-17-2-3-23-12;1-20-8-10(6-17-20)12-7-18-21-13(15)3-11(19-14(12)21)2-9-4-16-5-9/h8-10,12,20H,2-7,19H2,1H3;6,8-12,19H,3-5,7,18H2,1-2H3;8-11,13,19H,2-7,18H2,1H3;8-12H,2-7,18H2,1H3;7-11,18H,2-6,17H2,1H3;5-6,8-9,12,17H,2-4,7,16H2,1H3;3,6-9,16H,2,4-5,15H2,1H3.
What are the key properties of 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2273.66 g/mol, XLogP of 10.96, 23 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(1-piperidin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158574730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).