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

C22H26FN7O — CID 134407920

IUPAC1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESCc1cccc(N2CCC(CN)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)n1
InChIInChI=1S/C22H26FN7O/c1-15-3-2-4-19(26-15)29-11-9-22(14-24,10-12-29)30-13-18(20(25)31)21(28-30)27-17-7-5-16(23)6-8-17/h2-8,13H,9-12,14,24H2,1H3,(H2,25,31)(H,27,28)
InChIKeyXRQBNJHHTQHBLY-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.52
Rot. Bonds6

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

1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (PubChem CID 134407920) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
PubChem CID134407920
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESCc1cccc(N2CCC(CN)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)n1
InChIInChI=1S/C22H26FN7O/c1-15-3-2-4-19(26-15)29-11-9-22(14-24,10-12-29)30-13-18(20(25)31)21(28-30)27-17-7-5-16(23)6-8-17/h2-8,13H,9-12,14,24H2,1H3,(H2,25,31)(H,27,28)
InChIKeyXRQBNJHHTQHBLY-UHFFFAOYSA-N
XLogP2.52
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[4-(aminomethyl)-1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 134407587
1-[1-(aminomethyl)-4-(2-methoxyethylamino)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 123533417
1-[4-(cyanomethyl)-1-pyridin-4-ylpiperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71535412
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-[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-(furan-2-ylmethyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462460
3-(4-fluoroanilino)-1-[4-[(methylideneamino)methyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 123612193
1-[1-(cyanomethyl)-4-(cyclohexylamino)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89462330
2,2,2-trifluoroethyl 4-(aminomethyl)-4-[4-carbamoyl-3-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 162569628
1-[1-(cyanomethyl)-4-(3-hydroxyazetidin-1-yl)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89473471

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (CID 134407920) is 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is Cc1cccc(N2CCC(CN)(n3cc(C(N)=O)c(Nc4ccc(F)cc4)n3)CC2)n1.
What is the InChIKey of 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The InChIKey is XRQBNJHHTQHBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-15-3-2-4-19(26-15)29-11-9-22(14-24,10-12-29)30-13-18(20(25)31)21(28-30)27-17-7-5-16(23)6-8-17/h2-8,13H,9-12,14,24H2,1H3,(H2,25,31)(H,27,28).
What are the key properties of 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is sourced from PubChem (CID 134407920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).