N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C22H23F3N6O — CID 129032609

IUPACN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C22H23F3N6O/c1-29-9-7-17(28-29)15-30-10-12-31(13-11-30)20-6-5-16(22(23,24)25)14-19(20)27-21(32)18-4-2-3-8-26-18/h2-9,14H,10-13,15H2,1H3,(H,27,32)
InChIKeyZBZIXGWODXXMAZ-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.41
Rot. Bonds5

About N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 129032609) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID129032609
Molecular FormulaC22H23F3N6O
Molecular Weight444.46 g/mol
Exact Mass444.19
IUPAC NameN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C22H23F3N6O/c1-29-9-7-17(28-29)15-30-10-12-31(13-11-30)20-6-5-16(22(23,24)25)14-19(20)27-21(32)18-4-2-3-8-26-18/h2-9,14H,10-13,15H2,1H3,(H,27,32)
InChIKeyZBZIXGWODXXMAZ-UHFFFAOYSA-N
XLogP3.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 129032609) is N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Cn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccccn3)CC2)n1.
What is the InChIKey of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ZBZIXGWODXXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O/c1-29-9-7-17(28-29)15-30-10-12-31(13-11-30)20-6-5-16(22(23,24)25)14-19(20)27-21(32)18-4-2-3-8-26-18/h2-9,14H,10-13,15H2,1H3,(H,27,32).
What are the key properties of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 129032609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).