1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea

C23H19ClFN5O — CID 50995671

IUPAC1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea
SMILESO=C(Nc1cc(Cl)ccc1F)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12
InChIInChI=1S/C23H19ClFN5O/c24-15-6-7-18(25)20(11-15)29-23(31)28-19-4-1-5-21-17(19)8-10-30(21)13-14-12-27-22-16(14)3-2-9-26-22/h1-7,9,11-12H,8,10,13H2,(H,26,27)(H2,28,29,31)
InChIKeyGPBGCAKOXYCHOH-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.56
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea

1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea (PubChem CID 50995671) has the molecular formula C23H19ClFN5O and a molecular weight of 435.89 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea
PubChem CID50995671
Molecular FormulaC23H19ClFN5O
Molecular Weight435.89 g/mol
Exact Mass435.13
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea
SMILESO=C(Nc1cc(Cl)ccc1F)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12
InChIInChI=1S/C23H19ClFN5O/c24-15-6-7-18(25)20(11-15)29-23(31)28-19-4-1-5-21-17(19)8-10-30(21)13-14-12-27-22-16(14)3-2-9-26-22/h1-7,9,11-12H,8,10,13H2,(H,26,27)(H2,28,29,31)
InChIKeyGPBGCAKOXYCHOH-UHFFFAOYSA-N
XLogP5.56
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea (CID 50995671) is 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea is O=C(Nc1cc(Cl)ccc1F)Nc1cccc2c1CCN2Cc1c[nH]c2ncccc12.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea?
The InChIKey is GPBGCAKOXYCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O/c24-15-6-7-18(25)20(11-15)29-23(31)28-19-4-1-5-21-17(19)8-10-30(21)13-14-12-27-22-16(14)3-2-9-26-22/h1-7,9,11-12H,8,10,13H2,(H,26,27)(H2,28,29,31).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea?
1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea has a molecular weight of 435.89 g/mol, XLogP of 5.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,3-dihydroindol-4-yl]urea is sourced from PubChem (CID 50995671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).