7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide

C25H22FN3O5S — CID 25109155

IUPAC7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide
SMILESCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1ccccc1F)CCCO3
InChIInChI=1S/C25H22FN3O5S/c1-35(32,33)28-25(31)22-20(17-8-4-12-27-24(17)30)21-19(11-10-15-7-5-13-34-23(15)21)29(22)14-16-6-2-3-9-18(16)26/h2-4,6,8-12H,5,7,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyCIFPCEWYNNJKNQ-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.20
Rot. Bonds5

About 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide

7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide (PubChem CID 25109155) has the molecular formula C25H22FN3O5S and a molecular weight of 495.53 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide
PubChem CID25109155
Molecular FormulaC25H22FN3O5S
Molecular Weight495.53 g/mol
Exact Mass495.13
IUPAC Name7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide
SMILESCS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1ccccc1F)CCCO3
InChIInChI=1S/C25H22FN3O5S/c1-35(32,33)28-25(31)22-20(17-8-4-12-27-24(17)30)21-19(11-10-15-7-5-13-34-23(15)21)29(22)14-16-6-2-3-9-18(16)26/h2-4,6,8-12H,5,7,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyCIFPCEWYNNJKNQ-UHFFFAOYSA-N
XLogP3.20
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide (CID 25109155) is 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide is CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1ccccc1F)CCCO3.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide?
The InChIKey is CIFPCEWYNNJKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O5S/c1-35(32,33)28-25(31)22-20(17-8-4-12-27-24(17)30)21-19(11-10-15-7-5-13-34-23(15)21)29(22)14-16-6-2-3-9-18(16)26/h2-4,6,8-12H,5,7,13-14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide?
7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-N-methylsulfonyl-9-(2-oxo-1H-pyridin-3-yl)-3,4-dihydro-2H-pyrano[2,3-e]indole-8-carboxamide is sourced from PubChem (CID 25109155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).