[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide

C24H31F4N5O3 — CID 163294643

IUPAC[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide
SMILESCOc1cc(-c2cc(C(=O)N3CCCCC3C)[nH]n2)c(F)cn1.O=CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H19FN4O2.C8H12F3NO/c1-10-5-3-4-6-21(10)16(22)14-8-13(19-20-14)11-7-15(23-2)18-9-12(11)17;9-8(10,11)6-1-3-7(4-2-6)12-5-13/h7-10H,3-6H2,1-2H3,(H,19,20);5-7H,1-4H2,(H,12,13)
InChIKeyRDERPKJZUYWBCB-UHFFFAOYSA-N
MW513.54 g/mol
LogP4.49
Rot. Bonds5

About [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide

[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide (PubChem CID 163294643) has the molecular formula C24H31F4N5O3 and a molecular weight of 513.54 g/mol. Its IUPAC name is [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide.

Molecular Properties

Compound Name[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide
PubChem CID163294643
Molecular FormulaC24H31F4N5O3
Molecular Weight513.54 g/mol
Exact Mass513.24
IUPAC Name[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide
SMILESCOc1cc(-c2cc(C(=O)N3CCCCC3C)[nH]n2)c(F)cn1.O=CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H19FN4O2.C8H12F3NO/c1-10-5-3-4-6-21(10)16(22)14-8-13(19-20-14)11-7-15(23-2)18-9-12(11)17;9-8(10,11)6-1-3-7(4-2-6)12-5-13/h7-10H,3-6H2,1-2H3,(H,19,20);5-7H,1-4H2,(H,12,13)
InChIKeyRDERPKJZUYWBCB-UHFFFAOYSA-N
XLogP4.49
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide?
The IUPAC name of [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide (CID 163294643) is [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide.
What is the SMILES notation for [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide?
The canonical SMILES for [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide is COc1cc(-c2cc(C(=O)N3CCCCC3C)[nH]n2)c(F)cn1.O=CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide?
The InChIKey is RDERPKJZUYWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2.C8H12F3NO/c1-10-5-3-4-6-21(10)16(22)14-8-13(19-20-14)11-7-15(23-2)18-9-12(11)17;9-8(10,11)6-1-3-7(4-2-6)12-5-13/h7-10H,3-6H2,1-2H3,(H,19,20);5-7H,1-4H2,(H,12,13).
What are the key properties of [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide?
[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide has a molecular weight of 513.54 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide is sourced from PubChem (CID 163294643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).