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

C21H19N5O2 — CID 91253503

IUPAC1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C21H19N5O2/c1-28-17-4-2-3-14(11-17)12-23-21(27)26-16-7-5-15(6-8-16)18-9-10-22-20-19(18)24-13-25-20/h2-11,13H,12H2,1H3,(H,22,24,25)(H2,23,26,27)
InChIKeyAJYJJGNWHALZBC-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.96
Rot. Bonds5

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

1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 91253503) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID91253503
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1
InChIInChI=1S/C21H19N5O2/c1-28-17-4-2-3-14(11-17)12-23-21(27)26-16-7-5-15(6-8-16)18-9-10-22-20-19(18)24-13-25-20/h2-11,13H,12H2,1H3,(H,22,24,25)(H2,23,26,27)
InChIKeyAJYJJGNWHALZBC-UHFFFAOYSA-N
XLogP3.96
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437
ethyl 2-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenoxy]acetate
CID 99783925
1-[4-[2-[2-(3-methoxyphenyl)phenyl]ethoxy]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 123644948
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 3809649
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 20972638
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-(4-bromo-2-fluorophenyl)-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea
CID 71295802
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea (CID 91253503) is 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=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-methoxyphenyl)methyl]urea?
The InChIKey is AJYJJGNWHALZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-17-4-2-3-14(11-17)12-23-21(27)26-16-7-5-15(6-8-16)18-9-10-22-20-19(18)24-13-25-20/h2-11,13H,12H2,1H3,(H,22,24,25)(H2,23,26,27).
What are the key properties of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 373.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 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-methoxyphenyl)methyl]urea is sourced from PubChem (CID 91253503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).