1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide

C23H24FN7O2 — CID 71537648

IUPAC1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESCOc1cc(N2CCC(CC#N)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)ccn1
InChIInChI=1S/C23H24FN7O2/c1-33-20-14-18(6-11-27-20)30-12-8-23(7-10-25,9-13-30)31-15-19(21(26)32)22(29-31)28-17-4-2-16(24)3-5-17/h2-6,11,14-15H,7-9,12-13H2,1H3,(H2,26,32)(H,28,29)
InChIKeyGJIAKANQSFRCPS-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.18
Rot. Bonds7

About 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide

1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (PubChem CID 71537648) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
PubChem CID71537648
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESCOc1cc(N2CCC(CC#N)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)ccn1
InChIInChI=1S/C23H24FN7O2/c1-33-20-14-18(6-11-27-20)30-12-8-23(7-10-25,9-13-30)31-15-19(21(26)32)22(29-31)28-17-4-2-16(24)3-5-17/h2-6,11,14-15H,7-9,12-13H2,1H3,(H2,26,32)(H,28,29)
InChIKeyGJIAKANQSFRCPS-UHFFFAOYSA-N
XLogP3.18
TPSA122.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide 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-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (CID 71537648) is 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is COc1cc(N2CCC(CC#N)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)ccn1.
What is the InChIKey of 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The InChIKey is GJIAKANQSFRCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-33-20-14-18(6-11-27-20)30-12-8-23(7-10-25,9-13-30)31-15-19(21(26)32)22(29-31)28-17-4-2-16(24)3-5-17/h2-6,11,14-15H,7-9,12-13H2,1H3,(H2,26,32)(H,28,29).
What are the key properties of 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethyl)-1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is sourced from PubChem (CID 71537648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).