1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea

C19H21N5O — CID 146642168

IUPAC1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea
SMILESO=C(Nc1ccc(C2CCCCC2)cn1)Nc1c[nH]c2cnccc12
InChIInChI=1S/C19H21N5O/c25-19(23-17-12-21-16-11-20-9-8-15(16)17)24-18-7-6-14(10-22-18)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H2,22,23,24,25)
InChIKeyFKXPOSYJFAGXHX-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.65
Rot. Bonds3

About 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea

1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea (PubChem CID 146642168) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea
PubChem CID146642168
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea
SMILESO=C(Nc1ccc(C2CCCCC2)cn1)Nc1c[nH]c2cnccc12
InChIInChI=1S/C19H21N5O/c25-19(23-17-12-21-16-11-20-9-8-15(16)17)24-18-7-6-14(10-22-18)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H2,22,23,24,25)
InChIKeyFKXPOSYJFAGXHX-UHFFFAOYSA-N
XLogP4.65
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
1-(3-bicyclo[3.2.1]octanyl)-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)urea
CID 146642120
4-cyclohexyl-N-(5-hydroxy-2-pyridinyl)benzamide
CID 135137479
piperidin-3-yl(1H-pyrrolo[2,3-c]pyridin-3-yl)methanone
CID 84692750
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
4-chloro-N-(5-piperidin-3-yl-2-pyridinyl)benzamide;hydrochloride
CID 67239168
4-(cycloheptylamino)pyridine-3-carboxylic acid
CID 81232550
1-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isoquinolin-5-ylurea
CID 72844286
4-cyclobutyl-N-(5-cyclobutyl-2-pyridinyl)-4-hydroxypiperidine-1-carboxamide
CID 154779655
tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
CID 145262519
tert-butyl N-[(5-cyclohexyl-2-pyridinyl)methyl]-N-pyridin-3-ylcarbamate
CID 165153021

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea?
The IUPAC name of 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea (CID 146642168) is 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea.
What is the SMILES notation for 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea?
The canonical SMILES for 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea is O=C(Nc1ccc(C2CCCCC2)cn1)Nc1c[nH]c2cnccc12.
What is the InChIKey of 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea?
The InChIKey is FKXPOSYJFAGXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(23-17-12-21-16-11-20-9-8-15(16)17)24-18-7-6-14(10-22-18)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H2,22,23,24,25).
What are the key properties of 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea?
1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea has a molecular weight of 335.41 g/mol, XLogP of 4.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-2-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)urea is sourced from PubChem (CID 146642168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).