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

C20H16N4O — CID 129198592

IUPAC[4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea
SMILESNC(=O)Nc1ccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)cc1
InChIInChI=1S/C20H16N4O/c21-20(25)23-17-8-6-13(7-9-17)16-10-15-11-18(24-19(15)22-12-16)14-4-2-1-3-5-14/h1-12H,(H,22,24)(H3,21,23,25)
InChIKeyADENLUQCJQAJHB-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.39
Rot. Bonds3

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

[4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea (PubChem CID 129198592) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea.

Molecular Properties

Compound Name[4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea
PubChem CID129198592
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name[4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea
SMILESNC(=O)Nc1ccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)cc1
InChIInChI=1S/C20H16N4O/c21-20(25)23-17-8-6-13(7-9-17)16-10-15-11-18(24-19(15)22-12-16)14-4-2-1-3-5-14/h1-12H,(H,22,24)(H3,21,23,25)
InChIKeyADENLUQCJQAJHB-UHFFFAOYSA-N
XLogP4.39
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 130423676
6-phenyl-1H-1,8-naphthyridin-2-one
CID 175293042
(4-aminopiperidin-1-yl)-[5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-indol-3-yl]methanone
CID 129186673
N-(2-cyanoethyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129186689
N-[3-(carbamoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 56797746
(3-aminopiperidin-1-yl)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanone
CID 129186656
molecular hydrogen;phenylurea
CID 143657584
N-(1-cyanocyclopropyl)-6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129198623
3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide
CID 175421408
2-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 129283446
(2-phenylquinolin-6-yl)urea
CID 54532809
(tert-butylamino)-[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methanol
CID 134402673

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea?
The IUPAC name of [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea (CID 129198592) is [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea.
What is the SMILES notation for [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea?
The canonical SMILES for [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea is NC(=O)Nc1ccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)cc1.
What is the InChIKey of [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea?
The InChIKey is ADENLUQCJQAJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-20(25)23-17-8-6-13(7-9-17)16-10-15-11-18(24-19(15)22-12-16)14-4-2-1-3-5-14/h1-12H,(H,22,24)(H3,21,23,25).
What are the key properties of [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea?
[4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea has a molecular weight of 328.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]urea is sourced from PubChem (CID 129198592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).