6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one

C25H19F3N6O2 — CID 142412938

IUPAC6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one
SMILESCC(n1cnnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F
InChIInChI=1S/C25H19F3N6O2/c1-14(25(26,27)28)34-13-30-32-24(34)20-4-2-3-19(31-20)18-11-36-22-8-7-16(9-17(22)23(18)35)33-10-21(29-12-33)15-5-6-15/h2-4,7-15H,5-6H2,1H3
InChIKeyBWHLGGGETATPCK-UHFFFAOYSA-N
MW492.46 g/mol
LogP5.30
Rot. Bonds5

About 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one

6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one (PubChem CID 142412938) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one
PubChem CID142412938
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one
SMILESCC(n1cnnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F
InChIInChI=1S/C25H19F3N6O2/c1-14(25(26,27)28)34-13-30-32-24(34)20-4-2-3-19(31-20)18-11-36-22-8-7-16(9-17(22)23(18)35)33-10-21(29-12-33)15-5-6-15/h2-4,7-15H,5-6H2,1H3
InChIKeyBWHLGGGETATPCK-UHFFFAOYSA-N
XLogP5.30
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one with MolForge

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Related Compounds

15-(4-Methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458386
US11168095, Example 42
CID 142411831
US11168095, Example 113
CID 142411893
US11168095, Example 66
CID 142412009
US11168095, Example 10
CID 142412023
6-(4-Cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]chromen-4-one
CID 141745242
7-(4-Cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 166647954
USRE48711, Example 272
CID 117785944
US11034671, Example 61
CID 138458399
US11034671, Example 66
CID 138458400
US11034671, Example 22
CID 138458471
US10683279, Example 60a
CID 140945256

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one (CID 142412938) is 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one is CC(n1cnnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one?
The InChIKey is BWHLGGGETATPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-14(25(26,27)28)34-13-30-32-24(34)20-4-2-3-19(31-20)18-11-36-22-8-7-16(9-17(22)23(18)35)33-10-21(29-12-33)15-5-6-15/h2-4,7-15H,5-6H2,1H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one?
6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one has a molecular weight of 492.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]chromen-4-one is sourced from PubChem (CID 142412938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).