4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one

C24H20FN7O — CID 154838286

IUPAC4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one
SMILESCn1c(-c2n[nH]c(=O)c3ccccc23)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C24H20FN7O/c1-31-22(21-17-4-2-3-5-18(17)23(33)29-27-21)28-30-24(31)32-10-8-14(9-11-32)19-13-26-20-12-15(25)6-7-16(19)20/h2-8,12-13,26H,9-11H2,1H3,(H,29,33)
InChIKeySPDGKTWNWFCRQE-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.63
Rot. Bonds3

About 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one

4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one (PubChem CID 154838286) has the molecular formula C24H20FN7O and a molecular weight of 441.47 g/mol. Its IUPAC name is 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one
PubChem CID154838286
Molecular FormulaC24H20FN7O
Molecular Weight441.47 g/mol
Exact Mass441.17
IUPAC Name4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one
SMILESCn1c(-c2n[nH]c(=O)c3ccccc23)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C24H20FN7O/c1-31-22(21-17-4-2-3-5-18(17)23(33)29-27-21)28-30-24(31)32-10-8-14(9-11-32)19-13-26-20-12-15(25)6-7-16(19)20/h2-8,12-13,26H,9-11H2,1H3,(H,29,33)
InChIKeySPDGKTWNWFCRQE-UHFFFAOYSA-N
XLogP3.63
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one with MolForge

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Related Compounds

3-[1-(2-chloro-4-pyridinyl)-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 133359737
6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 18323653
3-[1-[2-(difluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 133297500
3-[1-[4-(difluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 133297486
2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 56813191
[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrimidin-4-yl]methanol
CID 139005457
1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3,5-trimethylindol-2-one
CID 70288364
6-fluoro-3-[1-(3-methylsulfonyl-2-nitrophenyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 133393578
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]-1,3-dihydroindol-2-one
CID 67601555
1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4,4-trimethyl-2λ6,1,3-benzothiadiazine 2,2-dioxide
CID 70343994
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one?
The IUPAC name of 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one (CID 154838286) is 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one is Cn1c(-c2n[nH]c(=O)c3ccccc23)nnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one?
The InChIKey is SPDGKTWNWFCRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O/c1-31-22(21-17-4-2-3-5-18(17)23(33)29-27-21)28-30-24(31)32-10-8-14(9-11-32)19-13-26-20-12-15(25)6-7-16(19)20/h2-8,12-13,26H,9-11H2,1H3,(H,29,33).
What are the key properties of 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one?
4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one has a molecular weight of 441.47 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-methyl-1,2,4-triazol-3-yl]-2H-phthalazin-1-one is sourced from PubChem (CID 154838286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).