5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23N9O — CID 122542225

IUPAC5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN[C@@H]1CCCC[C@@H]1Nc1ccn2ncc(C(=O)Nc3cnn(-c4cccnc4)c3)c2n1
InChIInChI=1S/C21H23N9O/c22-17-5-1-2-6-18(17)27-19-7-9-29-20(28-19)16(12-25-29)21(31)26-14-10-24-30(13-14)15-4-3-8-23-11-15/h3-4,7-13,17-18H,1-2,5-6,22H2,(H,26,31)(H,27,28)/t17-,18+/m1/s1
InChIKeyUFHKCFGZUZJXNA-MSOLQXFVSA-N
MW417.48 g/mol
LogP2.24
Rot. Bonds5

About 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122542225) has the molecular formula C21H23N9O and a molecular weight of 417.48 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122542225
Molecular FormulaC21H23N9O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN[C@@H]1CCCC[C@@H]1Nc1ccn2ncc(C(=O)Nc3cnn(-c4cccnc4)c3)c2n1
InChIInChI=1S/C21H23N9O/c22-17-5-1-2-6-18(17)27-19-7-9-29-20(28-19)16(12-25-29)21(31)26-14-10-24-30(13-14)15-4-3-8-23-11-15/h3-4,7-13,17-18H,1-2,5-6,22H2,(H,26,31)(H,27,28)/t17-,18+/m1/s1
InChIKeyUFHKCFGZUZJXNA-MSOLQXFVSA-N
XLogP2.24
TPSA128.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181634
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-chloro-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263069
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methyl-3-pyrimidin-5-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181635
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542279
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122515235
1-[4-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]thiophen-2-yl]ethyl 2,2,2-trifluoroacetate
CID 134263252
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262641
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-carbamoyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262608
5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122540794
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122542280
N-(4-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063211

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122542225) is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N[C@@H]1CCCC[C@@H]1Nc1ccn2ncc(C(=O)Nc3cnn(-c4cccnc4)c3)c2n1.
What is the InChIKey of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UFHKCFGZUZJXNA-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H23N9O/c22-17-5-1-2-6-18(17)27-19-7-9-29-20(28-19)16(12-25-29)21(31)26-14-10-24-30(13-14)15-4-3-8-23-11-15/h3-4,7-13,17-18H,1-2,5-6,22H2,(H,26,31)(H,27,28)/t17-,18+/m1/s1.
What are the key properties of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122542225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).