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

C24H22N6O3 — CID 57391853

IUPAC1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C24H22N6O3/c31-23(30-10-12-33-13-11-30)17-2-1-3-19(14-17)29-24(32)28-18-6-4-16(5-7-18)20-8-9-25-22-21(20)26-15-27-22/h1-9,14-15H,10-13H2,(H,25,26,27)(H2,28,29,32)
InChIKeyUTAKVGKVXLTUNW-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.74
Rot. Bonds4

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

1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 57391853) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
PubChem CID57391853
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C24H22N6O3/c31-23(30-10-12-33-13-11-30)17-2-1-3-19(14-17)29-24(32)28-18-6-4-16(5-7-18)20-8-9-25-22-21(20)26-15-27-22/h1-9,14-15H,10-13H2,(H,25,26,27)(H2,28,29,32)
InChIKeyUTAKVGKVXLTUNW-UHFFFAOYSA-N
XLogP3.74
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea (CID 57391853) is 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea is O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is UTAKVGKVXLTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c31-23(30-10-12-33-13-11-30)17-2-1-3-19(14-17)29-24(32)28-18-6-4-16(5-7-18)20-8-9-25-22-21(20)26-15-27-22/h1-9,14-15H,10-13H2,(H,25,26,27)(H2,28,29,32).
What are the key properties of 1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea?
1-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 442.48 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 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-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 57391853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).