2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

C24H16F2N6O3S — CID 122178111

IUPAC2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cnc3ncnc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H16F2N6O3S/c1-35-24-20(32-36(33,34)21-3-2-17(25)10-19(21)26)9-16(12-29-24)15-8-18-22(14-4-6-27-7-5-14)30-13-31-23(18)28-11-15/h2-13,32H,1H3
InChIKeySHGMGWMEOHFIAT-UHFFFAOYSA-N
MW506.49 g/mol
LogP4.24
Rot. Bonds6

About 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 122178111) has the molecular formula C24H16F2N6O3S and a molecular weight of 506.49 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID122178111
Molecular FormulaC24H16F2N6O3S
Molecular Weight506.49 g/mol
Exact Mass506.10
IUPAC Name2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cnc3ncnc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H16F2N6O3S/c1-35-24-20(32-36(33,34)21-3-2-17(25)10-19(21)26)9-16(12-29-24)15-8-18-22(14-4-6-27-7-5-14)30-13-31-23(18)28-11-15/h2-13,32H,1H3
InChIKeySHGMGWMEOHFIAT-UHFFFAOYSA-N
XLogP4.24
TPSA119.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 122178111) is 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2cnc3ncnc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is SHGMGWMEOHFIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6O3S/c1-35-24-20(32-36(33,34)21-3-2-17(25)10-19(21)26)9-16(12-29-24)15-8-18-22(14-4-6-27-7-5-14)30-13-31-23(18)28-11-15/h2-13,32H,1H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 506.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylpyrido[2,3-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 122178111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).