4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide

C30H33N5O3 — CID 72943216

IUPAC4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESN#Cc1cc(-c2c[nH]c3ncc(C4=CCN(C(=O)NC5CCCC5)CC4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C30H33N5O3/c31-17-22-15-21(5-6-28(22)38-25-9-13-37-14-10-25)27-19-33-29-26(27)16-23(18-32-29)20-7-11-35(12-8-20)30(36)34-24-3-1-2-4-24/h5-7,15-16,18-19,24-25H,1-4,8-14H2,(H,32,33)(H,34,36)
InChIKeyZPBFMRPMUMXVEX-UHFFFAOYSA-N
MW511.63 g/mol
LogP5.40
Rot. Bonds5

About 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 72943216) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID72943216
Molecular FormulaC30H33N5O3
Molecular Weight511.63 g/mol
Exact Mass511.26
IUPAC Name4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESN#Cc1cc(-c2c[nH]c3ncc(C4=CCN(C(=O)NC5CCCC5)CC4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C30H33N5O3/c31-17-22-15-21(5-6-28(22)38-25-9-13-37-14-10-25)27-19-33-29-26(27)16-23(18-32-29)20-7-11-35(12-8-20)30(36)34-24-3-1-2-4-24/h5-7,15-16,18-19,24-25H,1-4,8-14H2,(H,32,33)(H,34,36)
InChIKeyZPBFMRPMUMXVEX-UHFFFAOYSA-N
XLogP5.40
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 72943216) is 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide is N#Cc1cc(-c2c[nH]c3ncc(C4=CCN(C(=O)NC5CCCC5)CC4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ZPBFMRPMUMXVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c31-17-22-15-21(5-6-28(22)38-25-9-13-37-14-10-25)27-19-33-29-26(27)16-23(18-32-29)20-7-11-35(12-8-20)30(36)34-24-3-1-2-4-24/h5-7,15-16,18-19,24-25H,1-4,8-14H2,(H,32,33)(H,34,36).
What are the key properties of 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 72943216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).