2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

C19H28N6O3 — CID 156890441

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2nc(N3CC[C@@H](N)C3)cc12
InChIInChI=1S/C19H28N6O3/c1-19(2,3)10-24-14-8-13(23-7-6-11(20)9-23)22-25(14)18(28)15(17(24)27)16(26)21-12-4-5-12/h8,11-12,27H,4-7,9-10,20H2,1-3H3,(H,21,26)/t11-/m1/s1
InChIKeyHPWIACWPBBAAJV-LLVKDONJSA-N
MW388.47 g/mol
LogP0.68
Rot. Bonds4

About 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890441) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156890441
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC(C)(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2nc(N3CC[C@@H](N)C3)cc12
InChIInChI=1S/C19H28N6O3/c1-19(2,3)10-24-14-8-13(23-7-6-11(20)9-23)22-25(14)18(28)15(17(24)27)16(26)21-12-4-5-12/h8,11-12,27H,4-7,9-10,20H2,1-3H3,(H,21,26)/t11-/m1/s1
InChIKeyHPWIACWPBBAAJV-LLVKDONJSA-N
XLogP0.68
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890441) is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2nc(N3CC[C@@H](N)C3)cc12.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HPWIACWPBBAAJV-LLVKDONJSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-19(2,3)10-24-14-8-13(23-7-6-11(20)9-23)22-25(14)18(28)15(17(24)27)16(26)21-12-4-5-12/h8,11-12,27H,4-7,9-10,20H2,1-3H3,(H,21,26)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).