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

C23H18N6O — CID 46888585

IUPAC1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2[nH]ncc2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C23H18N6O/c30-23(27-16-4-2-1-3-5-16)28-17-8-6-15(7-9-17)21-20(14-26-29-21)18-10-12-24-22-19(18)11-13-25-22/h1-14H,(H,24,25)(H,26,29)(H2,27,28,30)
InChIKeyJAYJZBXLNHGEKI-UHFFFAOYSA-N
MW394.44 g/mol
LogP5.26
Rot. Bonds4

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

1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea (PubChem CID 46888585) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea
PubChem CID46888585
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2[nH]ncc2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C23H18N6O/c30-23(27-16-4-2-1-3-5-16)28-17-8-6-15(7-9-17)21-20(14-26-29-21)18-10-12-24-22-19(18)11-13-25-22/h1-14H,(H,24,25)(H,26,29)(H2,27,28,30)
InChIKeyJAYJZBXLNHGEKI-UHFFFAOYSA-N
XLogP5.26
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 55.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]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-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea (CID 46888585) is 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(-c2[nH]ncc2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea?
The InChIKey is JAYJZBXLNHGEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23(27-16-4-2-1-3-5-16)28-17-8-6-15(7-9-17)21-20(14-26-29-21)18-10-12-24-22-19(18)11-13-25-22/h1-14H,(H,24,25)(H,26,29)(H2,27,28,30).
What are the key properties of 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea?
1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea has a molecular weight of 394.44 g/mol, XLogP of 5.26, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-5-yl]phenyl]urea is sourced from PubChem (CID 46888585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).