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

C26H30N4O3 — CID 122602778

IUPACN-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)NC5CCCC5)CC4)c3c2)cc1OC
InChIInChI=1S/C26H30N4O3/c1-32-23-8-7-18(14-24(23)33-2)19-13-21-22(16-28-25(21)27-15-19)17-9-11-30(12-10-17)26(31)29-20-5-3-4-6-20/h7-9,13-16,20H,3-6,10-12H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyIHYHDGDELIPPAW-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.99
Rot. Bonds5

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

N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 122602778) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID122602778
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)NC5CCCC5)CC4)c3c2)cc1OC
InChIInChI=1S/C26H30N4O3/c1-32-23-8-7-18(14-24(23)33-2)19-13-21-22(16-28-25(21)27-15-19)17-9-11-30(12-10-17)26(31)29-20-5-3-4-6-20/h7-9,13-16,20H,3-6,10-12H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyIHYHDGDELIPPAW-UHFFFAOYSA-N
XLogP4.99
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602755
N-cyclopentyl-4-[5-[3-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602744
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
4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 46234350
N-cyclohexyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90421015
N-cyclopentyl-4-[3-(3,4-dimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162203525
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 155537883
N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 165340215
5-(3,4-dimethoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 90029981
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632631
4-[5-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122602971
4-[5-(3-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122602840

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 122602778) is N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(-c2cnc3[nH]cc(C4=CCN(C(=O)NC5CCCC5)CC4)c3c2)cc1OC.
What is the InChIKey of N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is IHYHDGDELIPPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-32-23-8-7-18(14-24(23)33-2)19-13-21-22(16-28-25(21)27-15-19)17-9-11-30(12-10-17)26(31)29-20-5-3-4-6-20/h7-9,13-16,20H,3-6,10-12H2,1-2H3,(H,27,28)(H,29,31).
What are the key properties of N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 122602778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).