N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide

C23H21ClN4O — CID 142580560

IUPACN-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1
InChIInChI=1S/C23H21ClN4O/c24-16-5-7-17(8-6-16)26-22(29)23(12-3-13-23)20-10-9-19-18(27-20)11-15-28(19)21-4-1-2-14-25-21/h1-2,4-10,14H,3,11-13,15H2,(H,26,29)
InChIKeyBMKIMAJOPUYNPU-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.88
Rot. Bonds4

About N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide

N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide (PubChem CID 142580560) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide
PubChem CID142580560
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC NameN-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1
InChIInChI=1S/C23H21ClN4O/c24-16-5-7-17(8-6-16)26-22(29)23(12-3-13-23)20-10-9-19-18(27-20)11-15-28(19)21-4-1-2-14-25-21/h1-2,4-10,14H,3,11-13,15H2,(H,26,29)
InChIKeyBMKIMAJOPUYNPU-UHFFFAOYSA-N
XLogP4.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10738832
2-[8-acetamido-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10598562
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylacetamide
CID 10782473
2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10787073
2-[6-Chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-1-piperidin-1-yl-ethanone
CID 10834121
2-(6,8-Dichloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-piperidin-1-ylethanone
CID 11338217
2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-phenyl-acetamide
CID 11373803
(R)-1-(4-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl)-2-amino-3-(4-chlorophenyl)propan-1-one
CID 52944982
3-ethyl-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1H-indol-2-one
CID 54758295
4-[6-[(4-chloro-N-methylanilino)methyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90157519
N-(4-fluorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 142580347
US20230339939, Example 23
CID 162687680

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide (CID 142580560) is N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The InChIKey is BMKIMAJOPUYNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c24-16-5-7-17(8-6-16)26-22(29)23(12-3-13-23)20-10-9-19-18(27-20)11-15-28(19)21-4-1-2-14-25-21/h1-2,4-10,14H,3,11-13,15H2,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide?
N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1-pyridin-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 142580560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).