N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide

C22H26N4O2 — CID 50780110

IUPACN-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NC3CCCC3)c(=O)c12
InChIInChI=1S/C22H26N4O2/c1-15-16(2)26(18-10-4-3-5-11-18)21-20(15)22(28)25(14-23-21)13-12-19(27)24-17-8-6-7-9-17/h3-5,10-11,14,17H,6-9,12-13H2,1-2H3,(H,24,27)
InChIKeyFEJXQXHQXAZYCN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.25
Rot. Bonds5

About N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide

N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 50780110) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID50780110
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NC3CCCC3)c(=O)c12
InChIInChI=1S/C22H26N4O2/c1-15-16(2)26(18-10-4-3-5-11-18)21-20(15)22(28)25(14-23-21)13-12-19(27)24-17-8-6-7-9-17/h3-5,10-11,14,17H,6-9,12-13H2,1-2H3,(H,24,27)
InChIKeyFEJXQXHQXAZYCN-UHFFFAOYSA-N
XLogP3.25
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide (CID 50780110) is N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide is Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NC3CCCC3)c(=O)c12.
What is the InChIKey of N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is FEJXQXHQXAZYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-16(2)26(18-10-4-3-5-11-18)21-20(15)22(28)25(14-23-21)13-12-19(27)24-17-8-6-7-9-17/h3-5,10-11,14,17H,6-9,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 50780110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).