1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide

C22H23FN8O — CID 134407587

IUPAC1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESN#Cc1cccc(N2CCC(CN)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)n1
InChIInChI=1S/C22H23FN8O/c23-15-4-6-16(7-5-15)28-21-18(20(26)32)13-31(29-21)22(14-25)8-10-30(11-9-22)19-3-1-2-17(12-24)27-19/h1-7,13H,8-11,14,25H2,(H2,26,32)(H,28,29)
InChIKeyTVQPKLZMGAZJCT-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.09
Rot. Bonds6

About 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide

1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (PubChem CID 134407587) has the molecular formula C22H23FN8O and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
PubChem CID134407587
Molecular FormulaC22H23FN8O
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESN#Cc1cccc(N2CCC(CN)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)n1
InChIInChI=1S/C22H23FN8O/c23-15-4-6-16(7-5-15)28-21-18(20(26)32)13-31(29-21)22(14-25)8-10-30(11-9-22)19-3-1-2-17(12-24)27-19/h1-7,13H,8-11,14,25H2,(H2,26,32)(H,28,29)
InChIKeyTVQPKLZMGAZJCT-UHFFFAOYSA-N
XLogP2.09
TPSA138.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 134407920
1-[4-(cyanomethyl)-1-pyridin-4-ylpiperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71535412
1-[4-(cyanomethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462201
1-[4-(cyanomethyl)-1-(cyclopropylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89473423
1-[4-(cyanomethyl)-1-(4-methyl-3-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71534823
1-[4-(cyanomethyl)-1-(5,6-dimethyl-3-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71537941
1-[4-(cyanomethyl)-1-(furan-2-ylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462460
1-[1-(aminomethyl)-4-(2-methoxyethylamino)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 123533417
1-[1-(cyanomethyl)-4-(cyclohexylamino)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462330
1-[1-(cyanomethyl)-4-(3-hydroxyazetidin-1-yl)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89473471
3-(4-fluoroanilino)-1-[4-[(methylideneamino)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 123612193
3-anilino-1-[4-(cyanomethyl)-1-(2-methoxyacetyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89462244

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (CID 134407587) is 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is N#Cc1cccc(N2CCC(CN)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)n1.
What is the InChIKey of 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The InChIKey is TVQPKLZMGAZJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8O/c23-15-4-6-16(7-5-15)28-21-18(20(26)32)13-31(29-21)22(14-25)8-10-30(11-9-22)19-3-1-2-17(12-24)27-19/h1-7,13H,8-11,14,25H2,(H2,26,32)(H,28,29).
What are the key properties of 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is sourced from PubChem (CID 134407587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).