7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C14H12ClFN4O3S — CID 173153673

IUPAC7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C14H12ClFN4O3S/c15-10-5-9(1-2-11(10)16)24(22,23)20-4-3-8-6-18-14(13(17)21)19-12(8)7-20/h1-2,5-6H,3-4,7H2,(H2,17,21)
InChIKeyJGAYXVGCKOTBQC-UHFFFAOYSA-N
MW370.79 g/mol
LogP1.12
Rot. Bonds3

About 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153673) has the molecular formula C14H12ClFN4O3S and a molecular weight of 370.79 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153673
Molecular FormulaC14H12ClFN4O3S
Molecular Weight370.79 g/mol
Exact Mass370.03
IUPAC Name7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc2c(n1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C14H12ClFN4O3S/c15-10-5-9(1-2-11(10)16)24(22,23)20-4-3-8-6-18-14(13(17)21)19-12(8)7-20/h1-2,5-6H,3-4,7H2,(H2,17,21)
InChIKeyJGAYXVGCKOTBQC-UHFFFAOYSA-N
XLogP1.12
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153673) is 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is NC(=O)c1ncc2c(n1)CN(S(=O)(=O)c1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is JGAYXVGCKOTBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O3S/c15-10-5-9(1-2-11(10)16)24(22,23)20-4-3-8-6-18-14(13(17)21)19-12(8)7-20/h1-2,5-6H,3-4,7H2,(H2,17,21).
What are the key properties of 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 370.79 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).