5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide

C25H22F4N8O4S — CID 172635879

IUPAC5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide
SMILESCc1nnn(Cc2cc(C(F)(F)F)ccc2CCC(=O)N2Cc3cn(C(=O)c4ncc(S(N)(=O)=O)cc4F)cc3C2)n1
InChIInChI=1S/C25H22F4N8O4S/c1-14-32-34-37(33-14)13-16-6-19(25(27,28)29)4-2-15(16)3-5-22(38)35-9-17-11-36(12-18(17)10-35)24(39)23-21(26)7-20(8-31-23)42(30,40)41/h2,4,6-8,11-12H,3,5,9-10,13H2,1H3,(H2,30,40,41)
InChIKeyCAGWQCMZRCEZFU-UHFFFAOYSA-N
MW606.56 g/mol
LogP2.20
Rot. Bonds7

About 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide

5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide (PubChem CID 172635879) has the molecular formula C25H22F4N8O4S and a molecular weight of 606.56 g/mol. Its IUPAC name is 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide
PubChem CID172635879
Molecular FormulaC25H22F4N8O4S
Molecular Weight606.56 g/mol
Exact Mass606.14
IUPAC Name5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide
SMILESCc1nnn(Cc2cc(C(F)(F)F)ccc2CCC(=O)N2Cc3cn(C(=O)c4ncc(S(N)(=O)=O)cc4F)cc3C2)n1
InChIInChI=1S/C25H22F4N8O4S/c1-14-32-34-37(33-14)13-16-6-19(25(27,28)29)4-2-15(16)3-5-22(38)35-9-17-11-36(12-18(17)10-35)24(39)23-21(26)7-20(8-31-23)42(30,40)41/h2,4,6-8,11-12H,3,5,9-10,13H2,1H3,(H2,30,40,41)
InChIKeyCAGWQCMZRCEZFU-UHFFFAOYSA-N
XLogP2.20
TPSA158.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.56
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide (CID 172635879) is 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide is Cc1nnn(Cc2cc(C(F)(F)F)ccc2CCC(=O)N2Cc3cn(C(=O)c4ncc(S(N)(=O)=O)cc4F)cc3C2)n1.
What is the InChIKey of 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide?
The InChIKey is CAGWQCMZRCEZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N8O4S/c1-14-32-34-37(33-14)13-16-6-19(25(27,28)29)4-2-15(16)3-5-22(38)35-9-17-11-36(12-18(17)10-35)24(39)23-21(26)7-20(8-31-23)42(30,40)41/h2,4,6-8,11-12H,3,5,9-10,13H2,1H3,(H2,30,40,41).
What are the key properties of 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide?
5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide has a molecular weight of 606.56 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[2-[3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]propanoyl]-1,3-dihydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridine-3-sulfonamide is sourced from PubChem (CID 172635879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).