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

C19H21N5O — CID 146642263

IUPAC1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
SMILESO=C(Nc1c[nH]c2cccnc12)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21N5O/c25-19(23-17-13-21-16-7-4-10-20-18(16)17)22-14-8-11-24(12-9-14)15-5-2-1-3-6-15/h1-7,10,13-14,21H,8-9,11-12H2,(H2,22,23,25)
InChIKeyKVEMYNKWONUVDH-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.35
Rot. Bonds3

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

1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea (PubChem CID 146642263) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
PubChem CID146642263
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
SMILESO=C(Nc1c[nH]c2cccnc12)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21N5O/c25-19(23-17-13-21-16-7-4-10-20-18(16)17)22-14-8-11-24(12-9-14)15-5-2-1-3-6-15/h1-7,10,13-14,21H,8-9,11-12H2,(H2,22,23,25)
InChIKeyKVEMYNKWONUVDH-UHFFFAOYSA-N
XLogP3.35
TPSA73.05 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 ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]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-(2-methyltetrazol-5-yl)-3-(1-phenylpiperidin-4-yl)urea
CID 167966617
1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86830732
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
CID 86830653
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-(1-oxaspiro[4.4]nonan-4-yl)-3-(1-phenylpiperidin-4-yl)urea
CID 136568794
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
cyclohexylmethyl N-(1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate
CID 154652727
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 124846248
1-[(3S)-1-phenylpyrrolidin-3-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 124507997
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea?
The IUPAC name of 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea (CID 146642263) is 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea.
What is the SMILES notation for 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea?
The canonical SMILES for 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea is O=C(Nc1c[nH]c2cccnc12)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea?
The InChIKey is KVEMYNKWONUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(23-17-13-21-16-7-4-10-20-18(16)17)22-14-8-11-24(12-9-14)15-5-2-1-3-6-15/h1-7,10,13-14,21H,8-9,11-12H2,(H2,22,23,25).
What are the key properties of 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea?
1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpiperidin-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea is sourced from PubChem (CID 146642263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).