N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide

C24H24F3N5O5S — CID 155116014

IUPACN-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@](C)(c2ccc(OCC(F)F)cc2F)C3)nc1
InChIInChI=1S/C24H24F3N5O5S/c1-13-4-7-19(28-10-13)32-22(29-20(33)12-38(3,35)36)21-17(31-32)9-24(2,30-23(21)34)15-6-5-14(8-16(15)25)37-11-18(26)27/h4-8,10,18H,9,11-12H2,1-3H3,(H,29,33)(H,30,34)/t24-/m0/s1
InChIKeyPOISKURQHHYTDW-DEOSSOPVSA-N
MW551.55 g/mol
LogP2.54
Rot. Bonds8

About N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide

N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide (PubChem CID 155116014) has the molecular formula C24H24F3N5O5S and a molecular weight of 551.55 g/mol. Its IUPAC name is N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
PubChem CID155116014
Molecular FormulaC24H24F3N5O5S
Molecular Weight551.55 g/mol
Exact Mass551.15
IUPAC NameN-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@](C)(c2ccc(OCC(F)F)cc2F)C3)nc1
InChIInChI=1S/C24H24F3N5O5S/c1-13-4-7-19(28-10-13)32-22(29-20(33)12-38(3,35)36)21-17(31-32)9-24(2,30-23(21)34)15-6-5-14(8-16(15)25)37-11-18(26)27/h4-8,10,18H,9,11-12H2,1-3H3,(H,29,33)(H,30,34)/t24-/m0/s1
InChIKeyPOISKURQHHYTDW-DEOSSOPVSA-N
XLogP2.54
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.55
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide (CID 155116014) is N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide is Cc1ccc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@](C)(c2ccc(OCC(F)F)cc2F)C3)nc1.
What is the InChIKey of N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The InChIKey is POISKURQHHYTDW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24F3N5O5S/c1-13-4-7-19(28-10-13)32-22(29-20(33)12-38(3,35)36)21-17(31-32)9-24(2,30-23(21)34)15-6-5-14(8-16(15)25)37-11-18(26)27/h4-8,10,18H,9,11-12H2,1-3H3,(H,29,33)(H,30,34)/t24-/m0/s1.
What are the key properties of N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide has a molecular weight of 551.55 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-[4-(2,2-difluoroethoxy)-2-fluorophenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 155116014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).