4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide

C20H24N6O2 — CID 90454681

About 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide

4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 90454681) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide
• PubChem CID: 90454681
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide
• SMILES: CC(C)c1c(-c2cc(C(=O)N(C)C)n(C(C)C)c2)nc2c(C#N)c[nH]n2c1=O
• InChI: InChI=1S/C20H24N6O2/c1-11(2)16-17(23-18-14(8-21)9-22-26(18)20(16)28)13-7-15(19(27)24(5)6)25(10-13)12(3)4/h7,9-12,22H,1-6H3
• InChIKey: VYNNQFLFGFGQFT-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 99.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide?

The IUPAC name of 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide (CID 90454681) is 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide.

What is the SMILES notation for 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide?

The canonical SMILES for 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)c1c(-c2cc(C(=O)N(C)C)n(C(C)C)c2)nc2c(C#N)c[nH]n2c1=O.

What is the InChIKey of 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide?

The InChIKey is VYNNQFLFGFGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-11(2)16-17(23-18-14(8-21)9-22-26(18)20(16)28)13-7-15(19(27)24(5)6)25(10-13)12(3)4/h7,9-12,22H,1-6H3.

What are the key properties of 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide?

4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 90454681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).