3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile

C19H19ClFN5O — CID 118483414

IUPAC3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
SMILESN#CN1CCc2c(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)n[nH]c2C1
InChIInChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)
InChIKeyDOJQDLFPWKCNSN-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.06
Rot. Bonds2

About 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile

3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile (PubChem CID 118483414) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
PubChem CID118483414
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC Name3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
SMILESN#CN1CCc2c(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)n[nH]c2C1
InChIInChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24)
InChIKeyDOJQDLFPWKCNSN-UHFFFAOYSA-N
XLogP3.06
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile 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

Tinlarebant
CID 92044505
[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 118483372
[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118483410
3-[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carbonitrile
CID 118483425
1-[3-[4-[3,5-Bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 118483501
1-[3-[4-[3-Fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 118483546
1-[3-[4-[3,5-Difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 118483316
(5-Ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118483317
Methyl 3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 118483319
[4-(2-Chloro-3-fluorophenyl)piperidin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 118483331
[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
CID 118483336
[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 118483338

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile?
The IUPAC name of 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile (CID 118483414) is 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile?
The canonical SMILES for 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile is N#CN1CCc2c(C(=O)N3CCC(c4cccc(F)c4Cl)CC3)n[nH]c2C1.
What is the InChIKey of 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile?
The InChIKey is DOJQDLFPWKCNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c20-17-13(2-1-3-15(17)21)12-4-8-26(9-5-12)19(27)18-14-6-7-25(11-22)10-16(14)23-24-18/h1-3,12H,4-10H2,(H,23,24).
What are the key properties of 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile?
3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile has a molecular weight of 387.85 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile is sourced from PubChem (CID 118483414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).