1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide

C22H25N3O2 — CID 155372604

IUPAC1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)NC3CCC[C@@H]3c3ccccc3)cn(C)c12
InChIInChI=1S/C22H25N3O2/c1-14-12-25(3)22(27)19-17(13-24(2)20(14)19)21(26)23-18-11-7-10-16(18)15-8-5-4-6-9-15/h4-6,8-9,12-13,16,18H,7,10-11H2,1-3H3,(H,23,26)/t16-,18?/m1/s1
InChIKeyYVLPHYQDYCHBBY-PYUWXLGESA-N
MW363.46 g/mol
LogP3.25
Rot. Bonds3

About 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide

1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 155372604) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID155372604
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)NC3CCC[C@@H]3c3ccccc3)cn(C)c12
InChIInChI=1S/C22H25N3O2/c1-14-12-25(3)22(27)19-17(13-24(2)20(14)19)21(26)23-18-11-7-10-16(18)15-8-5-4-6-9-15/h4-6,8-9,12-13,16,18H,7,10-11H2,1-3H3,(H,23,26)/t16-,18?/m1/s1
InChIKeyYVLPHYQDYCHBBY-PYUWXLGESA-N
XLogP3.25
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide (CID 155372604) is 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide is Cc1cn(C)c(=O)c2c(C(=O)NC3CCC[C@@H]3c3ccccc3)cn(C)c12.
What is the InChIKey of 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is YVLPHYQDYCHBBY-PYUWXLGESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-12-25(3)22(27)19-17(13-24(2)20(14)19)21(26)23-18-11-7-10-16(18)15-8-5-4-6-9-15/h4-6,8-9,12-13,16,18H,7,10-11H2,1-3H3,(H,23,26)/t16-,18?/m1/s1.
What are the key properties of 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide?
1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-4-oxo-N-[(2R)-2-phenylcyclopentyl]pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155372604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).