N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide

C21H25FN4O3S — CID 155640474

IUPACN-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC(NS(C)(=O)=O)C1C(=O)Nc1c(-c2ccncc2)cc(F)c2c1CCC2
InChIInChI=1S/C21H25FN4O3S/c1-26-11-8-18(25-30(2,28)29)20(26)21(27)24-19-15-5-3-4-14(15)17(22)12-16(19)13-6-9-23-10-7-13/h6-7,9-10,12,18,20,25H,3-5,8,11H2,1-2H3,(H,24,27)
InChIKeyGNRIAYJGIDRQMF-UHFFFAOYSA-N
MW432.52 g/mol
LogP1.94
Rot. Bonds5

About N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide

N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide (PubChem CID 155640474) has the molecular formula C21H25FN4O3S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide
PubChem CID155640474
Molecular FormulaC21H25FN4O3S
Molecular Weight432.52 g/mol
Exact Mass432.16
IUPAC NameN-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC(NS(C)(=O)=O)C1C(=O)Nc1c(-c2ccncc2)cc(F)c2c1CCC2
InChIInChI=1S/C21H25FN4O3S/c1-26-11-8-18(25-30(2,28)29)20(26)21(27)24-19-15-5-3-4-14(15)17(22)12-16(19)13-6-9-23-10-7-13/h6-7,9-10,12,18,20,25H,3-5,8,11H2,1-2H3,(H,24,27)
InChIKeyGNRIAYJGIDRQMF-UHFFFAOYSA-N
XLogP1.94
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide (CID 155640474) is N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide is CN1CCC(NS(C)(=O)=O)C1C(=O)Nc1c(-c2ccncc2)cc(F)c2c1CCC2.
What is the InChIKey of N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is GNRIAYJGIDRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3S/c1-26-11-8-18(25-30(2,28)29)20(26)21(27)24-19-15-5-3-4-14(15)17(22)12-16(19)13-6-9-23-10-7-13/h6-7,9-10,12,18,20,25H,3-5,8,11H2,1-2H3,(H,24,27).
What are the key properties of N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide?
N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(methanesulfonamido)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155640474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).