1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea

C22H20N4O3 — CID 141154367

IUPAC1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(-c3c[nH]c4cnccc34)cc2)c1
InChIInChI=1S/C22H20N4O3/c1-28-16-7-8-21(29-2)19(11-16)26-22(27)25-15-5-3-14(4-6-15)18-12-24-20-13-23-10-9-17(18)20/h3-13,24H,1-2H3,(H2,25,26,27)
InChIKeyHSVHIFURPLOKDU-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.89
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea

1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea (PubChem CID 141154367) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea
PubChem CID141154367
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2ccc(-c3c[nH]c4cnccc34)cc2)c1
InChIInChI=1S/C22H20N4O3/c1-28-16-7-8-21(29-2)19(11-16)26-22(27)25-15-5-3-14(4-6-15)18-12-24-20-13-23-10-9-17(18)20/h3-13,24H,1-2H3,(H2,25,26,27)
InChIKeyHSVHIFURPLOKDU-UHFFFAOYSA-N
XLogP4.89
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea with MolForge

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386711
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57445324
1-[4-(2-aminoacetyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 170860315
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
1-(4-bromo-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)urea
CID 2956360
1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
dimethyl 5-[(2,5-dimethoxyphenyl)carbamoylamino]benzene-1,3-dicarboxylate
CID 1298005
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801474
1-(2,5-dimethoxyphenyl)-3-[4-[2-(dimethylamino)acetyl]phenyl]urea
CID 170896049
1-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2,5-dimethoxyphenyl)urea
CID 46386755

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea (CID 141154367) is 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea is COc1ccc(OC)c(NC(=O)Nc2ccc(-c3c[nH]c4cnccc34)cc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea?
The InChIKey is HSVHIFURPLOKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-16-7-8-21(29-2)19(11-16)26-22(27)25-15-5-3-14(4-6-15)18-12-24-20-13-23-10-9-17(18)20/h3-13,24H,1-2H3,(H2,25,26,27).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea?
1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea has a molecular weight of 388.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]urea is sourced from PubChem (CID 141154367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).