N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide

C18H14ClN5O — CID 159861957

IUPACN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide
SMILESCc1cnc2c(c1)CC(c1cc(NC(=O)c3cnc[nH]3)ccc1Cl)=N2
InChIInChI=1S/C18H14ClN5O/c1-10-4-11-5-15(24-17(11)21-7-10)13-6-12(2-3-14(13)19)23-18(25)16-8-20-9-22-16/h2-4,6-9H,5H2,1H3,(H,20,22)(H,23,25)
InChIKeyNRGJNXFUUXINDJ-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.70
Rot. Bonds3

About N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide

N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 159861957) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide
PubChem CID159861957
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide
SMILESCc1cnc2c(c1)CC(c1cc(NC(=O)c3cnc[nH]3)ccc1Cl)=N2
InChIInChI=1S/C18H14ClN5O/c1-10-4-11-5-15(24-17(11)21-7-10)13-6-12(2-3-14(13)19)23-18(25)16-8-20-9-22-16/h2-4,6-9H,5H2,1H3,(H,20,22)(H,23,25)
InChIKeyNRGJNXFUUXINDJ-UHFFFAOYSA-N
XLogP3.70
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
CID 147408240
3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
CID 162037501
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide
CID 159741721
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide
CID 158505438
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 162219096
2-chloro-N-[4-chloro-3-[5-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]benzamide
CID 161444002
N-[4-chloro-3-(5-propyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 159699872
ethyl N-[4-chloro-3-[5-(4-ethylphenyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]carbamate
CID 162107812
propan-2-yl 2-[2-[2-chloro-5-(propan-2-yloxycarbonylamino)phenyl]-3H-pyrrolo[2,3-b]pyridin-5-yl]acetate
CID 147335776
N-[4-chloro-3-[5-[2-(3,3-dimethylcyclobutyl)-2-oxoethyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 158801294
N-[4-chloro-3-[5-[4-(4-methyl-2-oxopentyl)phenyl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 159662439
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 90403510

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide (CID 159861957) is N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide is Cc1cnc2c(c1)CC(c1cc(NC(=O)c3cnc[nH]3)ccc1Cl)=N2.
What is the InChIKey of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is NRGJNXFUUXINDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-10-4-11-5-15(24-17(11)21-7-10)13-6-12(2-3-14(13)19)23-18(25)16-8-20-9-22-16/h2-4,6-9H,5H2,1H3,(H,20,22)(H,23,25).
What are the key properties of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide?
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 351.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 159861957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).