5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H21F3N6O — CID 86692538

IUPAC5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CCNCC1
InChIInChI=1S/C22H21F3N6O/c1-13-9-17(11-28-20(13)15-5-7-26-8-6-15)30-21(32)18-12-29-31(14(18)2)19-4-3-16(10-27-19)22(23,24)25/h3-5,9-12,26H,6-8H2,1-2H3,(H,30,32)
InChIKeyMYICQHWHYITUOE-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.93
Rot. Bonds4

About 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 86692538) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID86692538
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CCNCC1
InChIInChI=1S/C22H21F3N6O/c1-13-9-17(11-28-20(13)15-5-7-26-8-6-15)30-21(32)18-12-29-31(14(18)2)19-4-3-16(10-27-19)22(23,24)25/h3-5,9-12,26H,6-8H2,1-2H3,(H,30,32)
InChIKeyMYICQHWHYITUOE-UHFFFAOYSA-N
XLogP3.93
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 86692538) is 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CCNCC1.
What is the InChIKey of 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is MYICQHWHYITUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-13-9-17(11-28-20(13)15-5-7-26-8-6-15)30-21(32)18-12-29-31(14(18)2)19-4-3-16(10-27-19)22(23,24)25/h3-5,9-12,26H,6-8H2,1-2H3,(H,30,32).
What are the key properties of 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86692538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).