5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H21N9O2 — CID 122181623

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

5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122181623) has the molecular formula C17H21N9O2 and a molecular weight of 383.42 g/mol. Its IUPAC name is 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 122181623
• Molecular Formula: C17H21N9O2
• Molecular Weight: 383.42 g/mol
• Exact Mass: 383.18
• IUPAC Name: 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1cc(NC(=O)c2cnn3ccc(NC4CCCC4N)nc23)c(C(N)=O)n1
• InChI: InChI=1S/C17H21N9O2/c1-25-8-12(14(24-25)15(19)27)22-17(28)9-7-20-26-6-5-13(23-16(9)26)21-11-4-2-3-10(11)18/h5-8,10-11H,2-4,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28)
• InChIKey: KOYVDTCEECDRKG-UHFFFAOYSA-N
• XLogP: 0.11
• TPSA: 158.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.42
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122181623) is 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(NC4CCCC4N)nc23)c(C(N)=O)n1.

What is the InChIKey of 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KOYVDTCEECDRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O2/c1-25-8-12(14(24-25)15(19)27)22-17(28)9-7-20-26-6-5-13(23-16(9)26)21-11-4-2-3-10(11)18/h5-8,10-11H,2-4,18H2,1H3,(H2,19,27)(H,21,23)(H,22,28).

What are the key properties of 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122181623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).