5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C85H102ClN31OS — CID 158560676

IUPAC5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(Cc1ccccc1)c1cc(N)n2nccc2n1.CN1CCCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.Cc1cnn2c(N)cc(C3CC[C@H](N)C3)nc12.Cc1cnn2c(N)cc(C[C@H]3CCNC3)nc12.Nc1cc(CCc2cccs2)nc2ccnn12.Nc1cc(C[C@H]2CCNC2)nc2c(C(=O)c3ccccc3)cnn12
InChIInChI=1S/C18H19N5O.C16H20ClN7.C15H17N5.2C12H17N5.C12H12N4S/c19-16-9-14(8-12-6-7-20-10-12)22-18-15(11-21-23(16)18)17(24)13-4-2-1-3-5-13;1-22-5-3-4-10(8-22)14-13(17)15(18)24-16(21-14)12(7-20-24)11-6-19-23(2)9-11;1-2-19(11-12-6-4-3-5-7-12)15-10-13(16)20-14(18-15)8-9-17-20;1-8-6-15-17-11(13)5-10(16-12(8)17)4-9-2-3-14-7-9;1-7-6-15-17-11(14)5-10(16-12(7)17)8-2-3-9(13)4-8;13-11-8-9(3-4-10-2-1-7-17-10)15-12-5-6-14-16(11)12/h1-5,9,11-12,20H,6-8,10,19H2;6-7,9-10H,3-5,8,18H2,1-2H3;3-10H,2,11,16H2,1H3;5-6,9,14H,2-4,7,13H2,1H3;5-6,8-9H,2-4,13-14H2,1H3;1-2,5-8H,3-4,13H2/t12-;;;9-;8?,9-;/m1..10./s1
InChIKeyHQVPHTZDPXLPOJ-SSVKZBLNSA-N
MW1641.49 g/mol
LogP10.35
Rot. Bonds16

About 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158560676) has the molecular formula C85H102ClN31OS and a molecular weight of 1641.49 g/mol. Its IUPAC name is 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158560676
Molecular FormulaC85H102ClN31OS
Molecular Weight1641.49 g/mol
Exact Mass1639.83
IUPAC Name5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(Cc1ccccc1)c1cc(N)n2nccc2n1.CN1CCCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.Cc1cnn2c(N)cc(C3CC[C@H](N)C3)nc12.Cc1cnn2c(N)cc(C[C@H]3CCNC3)nc12.Nc1cc(CCc2cccs2)nc2ccnn12.Nc1cc(C[C@H]2CCNC2)nc2c(C(=O)c3ccccc3)cnn12
InChIInChI=1S/C18H19N5O.C16H20ClN7.C15H17N5.2C12H17N5.C12H12N4S/c19-16-9-14(8-12-6-7-20-10-12)22-18-15(11-21-23(16)18)17(24)13-4-2-1-3-5-13;1-22-5-3-4-10(8-22)14-13(17)15(18)24-16(21-14)12(7-20-24)11-6-19-23(2)9-11;1-2-19(11-12-6-4-3-5-7-12)15-10-13(16)20-14(18-15)8-9-17-20;1-8-6-15-17-11(13)5-10(16-12(8)17)4-9-2-3-14-7-9;1-7-6-15-17-11(14)5-10(16-12(7)17)8-2-3-9(13)4-8;13-11-8-9(3-4-10-2-1-7-17-10)15-12-5-6-14-16(11)12/h1-5,9,11-12,20H,6-8,10,19H2;6-7,9-10H,3-5,8,18H2,1-2H3;3-10H,2,11,16H2,1H3;5-6,9,14H,2-4,7,13H2,1H3;5-6,8-9H,2-4,13-14H2,1H3;1-2,5-8H,3-4,13H2/t12-;;;9-;8?,9-;/m1..10./s1
InChIKeyHQVPHTZDPXLPOJ-SSVKZBLNSA-N
XLogP10.35
TPSA428.71 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms119
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001641.49
LogP ≤ 510.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158560676) is 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCN(Cc1ccccc1)c1cc(N)n2nccc2n1.CN1CCCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Cl)C1.Cc1cnn2c(N)cc(C3CC[C@H](N)C3)nc12.Cc1cnn2c(N)cc(C[C@H]3CCNC3)nc12.Nc1cc(CCc2cccs2)nc2ccnn12.Nc1cc(C[C@H]2CCNC2)nc2c(C(=O)c3ccccc3)cnn12.
What is the InChIKey of 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HQVPHTZDPXLPOJ-SSVKZBLNSA-N. The full InChI is InChI=1S/C18H19N5O.C16H20ClN7.C15H17N5.2C12H17N5.C12H12N4S/c19-16-9-14(8-12-6-7-20-10-12)22-18-15(11-21-23(16)18)17(24)13-4-2-1-3-5-13;1-22-5-3-4-10(8-22)14-13(17)15(18)24-16(21-14)12(7-20-24)11-6-19-23(2)9-11;1-2-19(11-12-6-4-3-5-7-12)15-10-13(16)20-14(18-15)8-9-17-20;1-8-6-15-17-11(13)5-10(16-12(8)17)4-9-2-3-14-7-9;1-7-6-15-17-11(14)5-10(16-12(7)17)8-2-3-9(13)4-8;13-11-8-9(3-4-10-2-1-7-17-10)15-12-5-6-14-16(11)12/h1-5,9,11-12,20H,6-8,10,19H2;6-7,9-10H,3-5,8,18H2,1-2H3;3-10H,2,11,16H2,1H3;5-6,9,14H,2-4,7,13H2,1H3;5-6,8-9H,2-4,13-14H2,1H3;1-2,5-8H,3-4,13H2/t12-;;;9-;8?,9-;/m1..10./s1.
What are the key properties of 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1641.49 g/mol, XLogP of 10.35, 16 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;[7-amino-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]-phenylmethanone;5-N-benzyl-5-N-ethylpyrazolo[1,5-a]pyrimidine-5,7-diamine;6-chloro-5-(1-methylpiperidin-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-methyl-5-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;5-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158560676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).