6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide

C29H20F4N6O2 — CID 118411511

IUPAC6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(-c4ccc(C(N)=O)cn4)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C29H20F4N6O2/c1-39-10-9-24(38-39)19-12-20(22(30)13-21(19)29(31,32)33)28(41)37-25-11-18(23-8-7-17(14-35-23)27(34)40)15-36-26(25)16-5-3-2-4-6-16/h2-15H,1H3,(H2,34,40)(H,37,41)
InChIKeyKQWHGGROQFESOJ-UHFFFAOYSA-N
MW560.51 g/mol
LogP5.72
Rot. Bonds6

About 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide

6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 118411511) has the molecular formula C29H20F4N6O2 and a molecular weight of 560.51 g/mol. Its IUPAC name is 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide
PubChem CID118411511
Molecular FormulaC29H20F4N6O2
Molecular Weight560.51 g/mol
Exact Mass560.16
IUPAC Name6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cc(-c4ccc(C(N)=O)cn4)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C29H20F4N6O2/c1-39-10-9-24(38-39)19-12-20(22(30)13-21(19)29(31,32)33)28(41)37-25-11-18(23-8-7-17(14-35-23)27(34)40)15-36-26(25)16-5-3-2-4-6-16/h2-15H,1H3,(H2,34,40)(H,37,41)
InChIKeyKQWHGGROQFESOJ-UHFFFAOYSA-N
XLogP5.72
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.51
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide (CID 118411511) is 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide is Cn1ccc(-c2cc(C(=O)Nc3cc(-c4ccc(C(N)=O)cn4)cnc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is KQWHGGROQFESOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F4N6O2/c1-39-10-9-24(38-39)19-12-20(22(30)13-21(19)29(31,32)33)28(41)37-25-11-18(23-8-7-17(14-35-23)27(34)40)15-36-26(25)16-5-3-2-4-6-16/h2-15H,1H3,(H2,34,40)(H,37,41).
What are the key properties of 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide?
6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 560.51 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 118411511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).