1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide

C22H21F3N4O3 — CID 151594253

IUPAC1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
SMILESCOc1cc(-n2nc(C(=O)Nc3ccc(C)nc3)c3c2CC(C)OC3)ccc1C(F)(F)F
InChIInChI=1S/C22H21F3N4O3/c1-12-4-5-14(10-26-12)27-21(30)20-16-11-32-13(2)8-18(16)29(28-20)15-6-7-17(22(23,24)25)19(9-15)31-3/h4-7,9-10,13H,8,11H2,1-3H3,(H,27,30)
InChIKeyQJDGFBRVTBATKW-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.32
Rot. Bonds4

About 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide

1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 151594253) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID151594253
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC Name1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide
SMILESCOc1cc(-n2nc(C(=O)Nc3ccc(C)nc3)c3c2CC(C)OC3)ccc1C(F)(F)F
InChIInChI=1S/C22H21F3N4O3/c1-12-4-5-14(10-26-12)27-21(30)20-16-11-32-13(2)8-18(16)29(28-20)15-6-7-17(22(23,24)25)19(9-15)31-3/h4-7,9-10,13H,8,11H2,1-3H3,(H,27,30)
InChIKeyQJDGFBRVTBATKW-UHFFFAOYSA-N
XLogP4.32
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide (CID 151594253) is 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide is COc1cc(-n2nc(C(=O)Nc3ccc(C)nc3)c3c2CC(C)OC3)ccc1C(F)(F)F.
What is the InChIKey of 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is QJDGFBRVTBATKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c1-12-4-5-14(10-26-12)27-21(30)20-16-11-32-13(2)8-18(16)29(28-20)15-6-7-17(22(23,24)25)19(9-15)31-3/h4-7,9-10,13H,8,11H2,1-3H3,(H,27,30).
What are the key properties of 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide?
1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-(6-methyl-3-pyridinyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 151594253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).