N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C24H22Cl2N4O3 — CID 138560802

IUPACN-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)c2cc(Cl)cc(Cl)c2O)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C24H22Cl2N4O3/c1-12-11-30(24(33)18-8-14(25)9-19(26)21(18)31)7-5-15(12)17-10-20(29-23(32)13-2-3-13)28-22-16(17)4-6-27-22/h4-6,8-10,12-13,31H,2-3,7,11H2,1H3,(H2,27,28,29,32)
InChIKeySUMLBLUCSNHWFR-UHFFFAOYSA-N
MW485.37 g/mol
LogP5.10
Rot. Bonds4

About N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138560802) has the molecular formula C24H22Cl2N4O3 and a molecular weight of 485.37 g/mol. Its IUPAC name is N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138560802
Molecular FormulaC24H22Cl2N4O3
Molecular Weight485.37 g/mol
Exact Mass484.11
IUPAC NameN-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESCC1CN(C(=O)c2cc(Cl)cc(Cl)c2O)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
InChIInChI=1S/C24H22Cl2N4O3/c1-12-11-30(24(33)18-8-14(25)9-19(26)21(18)31)7-5-15(12)17-10-20(29-23(32)13-2-3-13)28-22-16(17)4-6-27-22/h4-6,8-10,12-13,31H,2-3,7,11H2,1H3,(H2,27,28,29,32)
InChIKeySUMLBLUCSNHWFR-UHFFFAOYSA-N
XLogP5.10
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

URAT1 inhibitor 3
CID 165412792
US11524968, Example 350
CID 138560936
[(3R)-3-[[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-1,4-dihydropyrimidin-6-yl]amino]methyl]piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 68101945
(Z)-2-(3-chloro-4-hydroxyphenyl)-3-[6-[[2-[4-(2,5-difluorophenyl)phenyl]acetyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 69375391
2-(3-chloro-4-hydroxyphenyl)-3-[6-[[2-[4-(2,5-difluorophenyl)phenyl]acetyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 69375395
(Z)-2-(3-chloro-4-hydroxyphenyl)-3-[6-[[2-[4-(3,4-difluorophenyl)phenyl]acetyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 69375425
2-(3-chloro-4-hydroxyphenyl)-3-[6-[[2-[4-(3,4-difluorophenyl)phenyl]acetyl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 69375426
3-chloro-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 25059242
[3-chloro-2-hydroxy-5-[3-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 57731622
N-[3-[4-chloro-1-(2-hydroxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-3-cyclohexylpropyl]-2-hydroxybenzamide
CID 67132346
(Z)-2-(3-chloro-4-hydroxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69375994
2-(3-chloro-4-hydroxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69375996

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138560802) is N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC1CN(C(=O)c2cc(Cl)cc(Cl)c2O)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.
What is the InChIKey of N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is SUMLBLUCSNHWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O3/c1-12-11-30(24(33)18-8-14(25)9-19(26)21(18)31)7-5-15(12)17-10-20(29-23(32)13-2-3-13)28-22-16(17)4-6-27-22/h4-6,8-10,12-13,31H,2-3,7,11H2,1H3,(H2,27,28,29,32).
What are the key properties of N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 485.37 g/mol, XLogP of 5.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,5-dichloro-2-hydroxybenzoyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138560802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).