1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

C25H25FN6O — CID 121416590

IUPAC1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC4CCCC(c5ccc(F)cc5)C4)ncc32)ccn1
InChIInChI=1S/C25H25FN6O/c1-16-11-22(9-10-27-16)32-23-15-28-24(13-19(23)14-29-32)31-25(33)30-21-4-2-3-18(12-21)17-5-7-20(26)8-6-17/h5-11,13-15,18,21H,2-4,12H2,1H3,(H2,28,30,31,33)
InChIKeyOWVLOVVTDUTZDV-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.11
Rot. Bonds4

About 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 121416590) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID121416590
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)NC4CCCC(c5ccc(F)cc5)C4)ncc32)ccn1
InChIInChI=1S/C25H25FN6O/c1-16-11-22(9-10-27-16)32-23-15-28-24(13-19(23)14-29-32)31-25(33)30-21-4-2-3-18(12-21)17-5-7-20(26)8-6-17/h5-11,13-15,18,21H,2-4,12H2,1H3,(H2,28,30,31,33)
InChIKeyOWVLOVVTDUTZDV-UHFFFAOYSA-N
XLogP5.11
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-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-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 121416590) is 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is Cc1cc(-n2ncc3cc(NC(=O)NC4CCCC(c5ccc(F)cc5)C4)ncc32)ccn1.
What is the InChIKey of 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is OWVLOVVTDUTZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-16-11-22(9-10-27-16)32-23-15-28-24(13-19(23)14-29-32)31-25(33)30-21-4-2-3-18(12-21)17-5-7-20(26)8-6-17/h5-11,13-15,18,21H,2-4,12H2,1H3,(H2,28,30,31,33).
What are the key properties of 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 444.51 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 121416590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).