7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one

C24H21FN8O — CID 146431077

IUPAC7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one
SMILESCC(C)n1cnnc1-c1cccc(-n2ncc3cc(F)c(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C24H21FN8O/c1-14(2)32-13-27-30-23(32)19-4-3-5-22(29-19)33-24(34)17-9-21(18(25)8-16(17)10-28-33)31-11-20(26-12-31)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3
InChIKeyPNBIKERTCSSRDM-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.82
Rot. Bonds5

About 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one

7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one (PubChem CID 146431077) has the molecular formula C24H21FN8O and a molecular weight of 456.49 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one
PubChem CID146431077
Molecular FormulaC24H21FN8O
Molecular Weight456.49 g/mol
Exact Mass456.18
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one
SMILESCC(C)n1cnnc1-c1cccc(-n2ncc3cc(F)c(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C24H21FN8O/c1-14(2)32-13-27-30-23(32)19-4-3-5-22(29-19)33-24(34)17-9-21(18(25)8-16(17)10-28-33)31-11-20(26-12-31)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3
InChIKeyPNBIKERTCSSRDM-UHFFFAOYSA-N
XLogP3.82
TPSA96.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one with MolForge

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Related Compounds

7-(4-cyclopropylimidazol-1-yl)-4-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinolin-3-one
CID 175372636
6-(4-cyclopropylimidazol-1-yl)-7-methyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 162710738
6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 150701965
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
N-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 134533118
5-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 137435676
4-chloro-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 153293852
7-(4-cyclopropylimidazol-1-yl)-2-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]isoquinolin-1-one
CID 162608829
(E)-but-2-enedioic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 121439236
6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one
CID 148977981
1-(3-cyclopropyl-4-fluorophenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435171
6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]
CID 175825715

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one (CID 146431077) is 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one is CC(C)n1cnnc1-c1cccc(-n2ncc3cc(F)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one?
The InChIKey is PNBIKERTCSSRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8O/c1-14(2)32-13-27-30-23(32)19-4-3-5-22(29-19)33-24(34)17-9-21(18(25)8-16(17)10-28-33)31-11-20(26-12-31)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one?
7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one has a molecular weight of 456.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]phthalazin-1-one is sourced from PubChem (CID 146431077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).