1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea

C20H17N5O — CID 57398846

IUPAC1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C20H17N5O/c1-13-3-2-4-16(11-13)25-20(26)24-15-7-5-14(6-8-15)17-9-10-21-19-18(17)22-12-23-19/h2-12H,1H3,(H,21,22,23)(H2,24,25,26)
InChIKeyGQSDFZXXEZBDPP-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.58
Rot. Bonds3

About 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 57398846) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID57398846
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C20H17N5O/c1-13-3-2-4-16(11-13)25-20(26)24-15-7-5-14(6-8-15)17-9-10-21-19-18(17)22-12-23-19/h2-12H,1H3,(H,21,22,23)(H2,24,25,26)
InChIKeyGQSDFZXXEZBDPP-UHFFFAOYSA-N
XLogP4.58
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
CID 71295802
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 5329880
1-(3-methylphenyl)-3-[4-(3-oxo-1,2-dihydroisoindol-4-yl)phenyl]urea
CID 70690322
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
1-(3-methylphenyl)-3-[4-(2H-pyrrol-4-yl)phenyl]urea
CID 157150438
5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736447
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
1-(2-fluoro-5-methylphenyl)-3-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 141360769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea (CID 57398846) is 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1.
What is the InChIKey of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is GQSDFZXXEZBDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-3-2-4-16(11-13)25-20(26)24-15-7-5-14(6-8-15)17-9-10-21-19-18(17)22-12-23-19/h2-12H,1H3,(H,21,22,23)(H2,24,25,26).
What are the key properties of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 343.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 57398846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).