2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H24N6O2 — CID 134480286

IUPAC2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3CCCC3)nc2c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C17H24N6O2/c18-15-14(17(25)19-11-3-5-12(24)6-4-11)16-20-13(7-10-23(16)21-15)22-8-1-2-9-22/h7,10-12,24H,1-6,8-9H2,(H2,18,21)(H,19,25)
InChIKeyQGBSCQUNQQEQAI-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.94
Rot. Bonds3

About 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134480286) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134480286
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3CCCC3)nc2c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C17H24N6O2/c18-15-14(17(25)19-11-3-5-12(24)6-4-11)16-20-13(7-10-23(16)21-15)22-8-1-2-9-22/h7,10-12,24H,1-6,8-9H2,(H2,18,21)(H,19,25)
InChIKeyQGBSCQUNQQEQAI-UHFFFAOYSA-N
XLogP0.94
TPSA108.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166763835
2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139455236
2-amino-5-[2-(1-cyclopropylethyl)-7-(methylsulfanylamino)-1-oxo-3H-isoindol-5-yl]-N-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155383868
2-amino-5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-N-[(1R,3R)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155735594
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480328
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449642
N-cyclopentyl-2-(6-piperidin-1-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161251
methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate
CID 142386891
2-amino-N-cyclopropyl-5-[2-(1-cyclopropylethyl)-7-hydroxy-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155384116
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134480286) is 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(N3CCCC3)nc2c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QGBSCQUNQQEQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c18-15-14(17(25)19-11-3-5-12(24)6-4-11)16-20-13(7-10-23(16)21-15)22-8-1-2-9-22/h7,10-12,24H,1-6,8-9H2,(H2,18,21)(H,19,25).
What are the key properties of 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134480286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).