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

C19H16ClN5O — CID 159741721

IUPACN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide
SMILESCc1cnc2c(c1)CC(c1cc(NC(=O)Cn3ccnc3)ccc1Cl)=N2
InChIInChI=1S/C19H16ClN5O/c1-12-6-13-7-17(24-19(13)22-9-12)15-8-14(2-3-16(15)20)23-18(26)10-25-5-4-21-11-25/h2-6,8-9,11H,7,10H2,1H3,(H,23,26)
InChIKeyNCNSUJIPTPRTIH-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.56
Rot. Bonds4

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

N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide (PubChem CID 159741721) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide
PubChem CID159741721
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC NameN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide
SMILESCc1cnc2c(c1)CC(c1cc(NC(=O)Cn3ccnc3)ccc1Cl)=N2
InChIInChI=1S/C19H16ClN5O/c1-12-6-13-7-17(24-19(13)22-9-12)15-8-14(2-3-16(15)20)23-18(26)10-25-5-4-21-11-25/h2-6,8-9,11H,7,10H2,1H3,(H,23,26)
InChIKeyNCNSUJIPTPRTIH-UHFFFAOYSA-N
XLogP3.56
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 162219096
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide
CID 158505438
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-(4-chlorophenyl)-3-methylbutanamide
CID 158075679
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-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 160509477
2-chloro-N-[4-chloro-3-[5-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]benzamide
CID 161444002
N-(3,4-dichlorophenyl)-2-(3-imidazol-1-ylpropylamino)acetamide
CID 17066764
methyl 2-[4-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]-3H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetate
CID 159661455
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide (CID 159741721) is N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide is Cc1cnc2c(c1)CC(c1cc(NC(=O)Cn3ccnc3)ccc1Cl)=N2.
What is the InChIKey of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide?
The InChIKey is NCNSUJIPTPRTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-12-6-13-7-17(24-19(13)22-9-12)15-8-14(2-3-16(15)20)23-18(26)10-25-5-4-21-11-25/h2-6,8-9,11H,7,10H2,1H3,(H,23,26).
What are the key properties of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide?
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide has a molecular weight of 365.82 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 159741721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).