3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine

C24H22F2N6 — CID 140891404

IUPAC3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine
SMILES[C-]#[N+]C1(C)CCN(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1
InChIInChI=1S/C24H22F2N6/c1-24(27-2)9-12-30(13-10-24)21-4-3-11-31-22(21)20(15-29-31)18-7-5-17(6-8-18)19-14-28-32(16-19)23(25)26/h3-8,11,14-16,23H,9-10,12-13H2,1H3
InChIKeyVPAWHCHIDDOTOP-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.54
Rot. Bonds4

About 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine

3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine (PubChem CID 140891404) has the molecular formula C24H22F2N6 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine
PubChem CID140891404
Molecular FormulaC24H22F2N6
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine
SMILES[C-]#[N+]C1(C)CCN(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1
InChIInChI=1S/C24H22F2N6/c1-24(27-2)9-12-30(13-10-24)21-4-3-11-31-22(21)20(15-29-31)18-7-5-17(6-8-18)19-14-28-32(16-19)23(25)26/h3-8,11,14-16,23H,9-10,12-13H2,1H3
InChIKeyVPAWHCHIDDOTOP-UHFFFAOYSA-N
XLogP5.54
TPSA42.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine 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 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine (CID 140891404) is 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine is [C-]#[N+]C1(C)CCN(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1.
What is the InChIKey of 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is VPAWHCHIDDOTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6/c1-24(27-2)9-12-30(13-10-24)21-4-3-11-31-22(21)20(15-29-31)18-7-5-17(6-8-18)19-14-28-32(16-19)23(25)26/h3-8,11,14-16,23H,9-10,12-13H2,1H3.
What are the key properties of 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine?
3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 432.48 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 140891404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).