5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide

C32H26F2N6O3S — CID 90341022

IUPAC5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C32H26F2N6O3S/c1-35-32(41)29-26-16-22(28(38(2)44(3,42)43)17-40(26)37-31(29)18-7-10-20(33)11-8-18)24-12-9-19-13-14-39-25-6-4-5-23(34)21(25)15-27(39)30(19)36-24/h4-12,15-17H,13-14H2,1-3H3,(H,35,41)
InChIKeyFGNRMZOEKSHEBT-UHFFFAOYSA-N
MW612.66 g/mol
LogP5.27
Rot. Bonds5

About 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 90341022) has the molecular formula C32H26F2N6O3S and a molecular weight of 612.66 g/mol. Its IUPAC name is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID90341022
Molecular FormulaC32H26F2N6O3S
Molecular Weight612.66 g/mol
Exact Mass612.18
IUPAC Name5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
InChIInChI=1S/C32H26F2N6O3S/c1-35-32(41)29-26-16-22(28(38(2)44(3,42)43)17-40(26)37-31(29)18-7-10-20(33)11-8-18)24-12-9-19-13-14-39-25-6-4-5-23(34)21(25)15-27(39)30(19)36-24/h4-12,15-17H,13-14H2,1-3H3,(H,35,41)
InChIKeyFGNRMZOEKSHEBT-UHFFFAOYSA-N
XLogP5.27
TPSA101.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.66
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 90341022) is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.
What is the InChIKey of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FGNRMZOEKSHEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N6O3S/c1-35-32(41)29-26-16-22(28(38(2)44(3,42)43)17-40(26)37-31(29)18-7-10-20(33)11-8-18)24-12-9-19-13-14-39-25-6-4-5-23(34)21(25)15-27(39)30(19)36-24/h4-12,15-17H,13-14H2,1-3H3,(H,35,41).
What are the key properties of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 612.66 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90341022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).