7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C24H20F3N5O — CID 71566277

IUPAC7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(Cc4cc(C5CC5)nc(C(F)(F)F)c4)ccc23)cn1
InChIInChI=1S/C24H20F3N5O/c1-32-12-16(11-29-32)18-10-21(23(28)33)30-20-7-13(2-5-17(18)20)6-14-8-19(15-3-4-15)31-22(9-14)24(25,26)27/h2,5,7-12,15H,3-4,6H2,1H3,(H2,28,33)
InChIKeyKIHRXNGLVNMIHC-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.62
Rot. Bonds5

About 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 71566277) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID71566277
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)nc3cc(Cc4cc(C5CC5)nc(C(F)(F)F)c4)ccc23)cn1
InChIInChI=1S/C24H20F3N5O/c1-32-12-16(11-29-32)18-10-21(23(28)33)30-20-7-13(2-5-17(18)20)6-14-8-19(15-3-4-15)31-22(9-14)24(25,26)27/h2,5,7-12,15H,3-4,6H2,1H3,(H2,28,33)
InChIKeyKIHRXNGLVNMIHC-UHFFFAOYSA-N
XLogP4.62
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 71566277) is 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cc(C5CC5)nc(C(F)(F)F)c4)ccc23)cn1.
What is the InChIKey of 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is KIHRXNGLVNMIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-32-12-16(11-29-32)18-10-21(23(28)33)30-20-7-13(2-5-17(18)20)6-14-8-19(15-3-4-15)31-22(9-14)24(25,26)27/h2,5,7-12,15H,3-4,6H2,1H3,(H2,28,33).
What are the key properties of 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 71566277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).