N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C23H24F3N7O2 — CID 165129716

IUPACN-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESC[C@H]1CN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cn[nH]c4)n3)c2)CCN1C1COC1
InChIInChI=1S/C23H24F3N7O2/c1-14-11-32(5-6-33(14)17-12-35-13-17)16-7-20(21(27-10-16)23(24,25)26)31-22(34)19-4-2-3-18(30-19)15-8-28-29-9-15/h2-4,7-10,14,17H,5-6,11-13H2,1H3,(H,28,29)(H,31,34)/t14-/m0/s1
InChIKeyFSCSXJCKLPJIGX-AWEZNQCLSA-N
MW487.49 g/mol
LogP3.05
Rot. Bonds5

About N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 165129716) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID165129716
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC NameN-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESC[C@H]1CN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cn[nH]c4)n3)c2)CCN1C1COC1
InChIInChI=1S/C23H24F3N7O2/c1-14-11-32(5-6-33(14)17-12-35-13-17)16-7-20(21(27-10-16)23(24,25)26)31-22(34)19-4-2-3-18(30-19)15-8-28-29-9-15/h2-4,7-10,14,17H,5-6,11-13H2,1H3,(H,28,29)(H,31,34)/t14-/m0/s1
InChIKeyFSCSXJCKLPJIGX-AWEZNQCLSA-N
XLogP3.05
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 165129716) is N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is C[C@H]1CN(c2cnc(C(F)(F)F)c(NC(=O)c3cccc(-c4cn[nH]c4)n3)c2)CCN1C1COC1.
What is the InChIKey of N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is FSCSXJCKLPJIGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-14-11-32(5-6-33(14)17-12-35-13-17)16-7-20(21(27-10-16)23(24,25)26)31-22(34)19-4-2-3-18(30-19)15-8-28-29-9-15/h2-4,7-10,14,17H,5-6,11-13H2,1H3,(H,28,29)(H,31,34)/t14-/m0/s1.
What are the key properties of N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165129716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).