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

IUPAC4-(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
SMILESCC(C)c1c(-c2cc(C(=O)N(C)C)n(C(C)C)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=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
InChIKeyVYNNQFLFGFGQFT-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.77
Rot. Bonds4

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 Name4-(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 CID90454681
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-(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
SMILESCC(C)c1c(-c2cc(C(=O)N(C)C)n(C(C)C)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=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
InChIKeyVYNNQFLFGFGQFT-UHFFFAOYSA-N
XLogP2.77
TPSA99.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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).