1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea

C23H28N4O — CID 67792036

IUPAC1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea
SMILESCC(C)c1ccccc1NC(=O)NCC1(n2ccc3cccnc32)CCCC1
InChIInChI=1S/C23H28N4O/c1-17(2)19-9-3-4-10-20(19)26-22(28)25-16-23(12-5-6-13-23)27-15-11-18-8-7-14-24-21(18)27/h3-4,7-11,14-15,17H,5-6,12-13,16H2,1-2H3,(H2,25,26,28)
InChIKeyDIBFUEAITDQLMM-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.25
Rot. Bonds5

About 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea

1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea (PubChem CID 67792036) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea
PubChem CID67792036
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea
SMILESCC(C)c1ccccc1NC(=O)NCC1(n2ccc3cccnc32)CCCC1
InChIInChI=1S/C23H28N4O/c1-17(2)19-9-3-4-10-20(19)26-22(28)25-16-23(12-5-6-13-23)27-15-11-18-8-7-14-24-21(18)27/h3-4,7-11,14-15,17H,5-6,12-13,16H2,1-2H3,(H2,25,26,28)
InChIKeyDIBFUEAITDQLMM-UHFFFAOYSA-N
XLogP5.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea with MolForge

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-[[1-(3-ethenylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]urea
CID 67794423
1-[[1-(2,3-dimethylpyrrolo[2,3-b]pyridin-1-yl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 67793960
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
1-[2,6-di(propan-2-yl)phenyl]-3-(2-phenyl-2-pyrrolo[2,3-b]pyridin-1-ylethyl)urea
CID 15222556
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
1-[(5-methylfuran-2-yl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 23855015
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(2-propan-2-ylphenyl)urea
CID 95594910
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea?
The IUPAC name of 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea (CID 67792036) is 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea?
The canonical SMILES for 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea is CC(C)c1ccccc1NC(=O)NCC1(n2ccc3cccnc32)CCCC1.
What is the InChIKey of 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea?
The InChIKey is DIBFUEAITDQLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17(2)19-9-3-4-10-20(19)26-22(28)25-16-23(12-5-6-13-23)27-15-11-18-8-7-14-24-21(18)27/h3-4,7-11,14-15,17H,5-6,12-13,16H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea?
1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea has a molecular weight of 376.50 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)-3-[(1-pyrrolo[2,3-b]pyridin-1-ylcyclopentyl)methyl]urea is sourced from PubChem (CID 67792036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).