N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide

C24H26N6O2 — CID 163793096

IUPACN-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
SMILESCC(NC(=O)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)c1ccn(C)c1
InChIInChI=1S/C24H26N6O2/c1-16(17-5-6-29(2)15-17)28-24(31)23-26-12-18(13-27-23)20-3-4-22-21(20)11-19(14-25-22)30-7-9-32-10-8-30/h3,5-6,11-16H,4,7-10H2,1-2H3,(H,28,31)
InChIKeyUUKPETSFDJTKEG-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.53
Rot. Bonds5

About N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide

N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide (PubChem CID 163793096) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
PubChem CID163793096
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
SMILESCC(NC(=O)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)c1ccn(C)c1
InChIInChI=1S/C24H26N6O2/c1-16(17-5-6-29(2)15-17)28-24(31)23-26-12-18(13-27-23)20-3-4-22-21(20)11-19(14-25-22)30-7-9-32-10-8-30/h3,5-6,11-16H,4,7-10H2,1-2H3,(H,28,31)
InChIKeyUUKPETSFDJTKEG-UHFFFAOYSA-N
XLogP2.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine
CID 163607091
[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 163491751
4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine
CID 163592421
N-[1-(1-iodo-2-methyl-2,3-dihydropyrrol-4-yl)ethyl]-5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2-carboxamide
CID 163794001
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one
CID 157089905
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
5-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S)-2-phenylpropyl]pyrimidine-2-carboxamide
CID 146610083
5-[5-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1-phenylethyl)pyrimidine-2-carboxamide
CID 146570468
1-(2-morpholin-4-ylpyrimidin-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 53146248
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide (CID 163793096) is N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide is CC(NC(=O)c1ncc(C2=CCc3ncc(N4CCOCC4)cc32)cn1)c1ccn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide?
The InChIKey is UUKPETSFDJTKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16(17-5-6-29(2)15-17)28-24(31)23-26-12-18(13-27-23)20-3-4-22-21(20)11-19(14-25-22)30-7-9-32-10-8-30/h3,5-6,11-16H,4,7-10H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide?
N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 163793096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).