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

C17H22N8O — CID 122181627

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)cn1
InChIInChI=1S/C17H22N8O/c1-24-10-11(8-19-24)21-17(26)12-9-20-25-7-6-15(23-16(12)25)22-14-5-3-2-4-13(14)18/h6-10,13-14H,2-5,18H2,1H3,(H,21,26)(H,22,23)/t13-,14+/m0/s1
InChIKeyLHPITDGMNSSFHR-UONOGXRCSA-N
MW354.42 g/mol
LogP1.40
Rot. Bonds4

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

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122181627) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122181627
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)cn1
InChIInChI=1S/C17H22N8O/c1-24-10-11(8-19-24)21-17(26)12-9-20-25-7-6-15(23-16(12)25)22-14-5-3-2-4-13(14)18/h6-10,13-14H,2-5,18H2,1H3,(H,21,26)(H,22,23)/t13-,14+/m0/s1
InChIKeyLHPITDGMNSSFHR-UONOGXRCSA-N
XLogP1.40
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122181627) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)cn1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LHPITDGMNSSFHR-UONOGXRCSA-N. The full InChI is InChI=1S/C17H22N8O/c1-24-10-11(8-19-24)21-17(26)12-9-20-25-7-6-15(23-16(12)25)22-14-5-3-2-4-13(14)18/h6-10,13-14H,2-5,18H2,1H3,(H,21,26)(H,22,23)/t13-,14+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122181627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).