4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide

C24H23F2N5O — CID 135249254

IUPAC4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1
InChIInChI=1S/C24H23F2N5O/c25-24(26)31-14-19(12-28-31)15-3-5-17(6-4-15)21-13-29-30-11-1-2-20(22(21)30)16-7-9-18(10-8-16)23(27)32/h1-6,11-14,16,18,24H,7-10H2,(H2,27,32)
InChIKeyZTOXZGMYZWTBDO-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.02
Rot. Bonds5

About 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide

4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide (PubChem CID 135249254) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide
PubChem CID135249254
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1
InChIInChI=1S/C24H23F2N5O/c25-24(26)31-14-19(12-28-31)15-3-5-17(6-4-15)21-13-29-30-11-1-2-20(22(21)30)16-7-9-18(10-8-16)23(27)32/h1-6,11-14,16,18,24H,7-10H2,(H2,27,32)
InChIKeyZTOXZGMYZWTBDO-UHFFFAOYSA-N
XLogP5.02
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide (CID 135249254) is 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide is NC(=O)C1CCC(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1.
What is the InChIKey of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is ZTOXZGMYZWTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c25-24(26)31-14-19(12-28-31)15-3-5-17(6-4-15)21-13-29-30-11-1-2-20(22(21)30)16-7-9-18(10-8-16)23(27)32/h1-6,11-14,16,18,24H,7-10H2,(H2,27,32).
What are the key properties of 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide?
4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135249254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).