N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H18N4O4S — CID 155093945

IUPACN-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCn1nc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c2ccccc21
InChIInChI=1S/C23H18N4O4S/c1-27-19-5-3-2-4-18(19)23(26-27)32(29,30)17-8-6-15(7-9-17)13-25-22(28)20-12-16-10-11-24-14-21(16)31-20/h2-12,14H,13H2,1H3,(H,25,28)
InChIKeyDCDBHCLBLSDQRD-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.48
Rot. Bonds5

About N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 155093945) has the molecular formula C23H18N4O4S and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID155093945
Molecular FormulaC23H18N4O4S
Molecular Weight446.49 g/mol
Exact Mass446.10
IUPAC NameN-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCn1nc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c2ccccc21
InChIInChI=1S/C23H18N4O4S/c1-27-19-5-3-2-4-18(19)23(26-27)32(29,30)17-8-6-15(7-9-17)13-25-22(28)20-12-16-10-11-24-14-21(16)31-20/h2-12,14H,13H2,1H3,(H,25,28)
InChIKeyDCDBHCLBLSDQRD-UHFFFAOYSA-N
XLogP3.48
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 88919820
N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610729
N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012795
N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 146220992
N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90013163
N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66609129
N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123232842
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123203809
N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123785710
N-[[5-[(5-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193628
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
CID 137452341

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 155093945) is N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cn1nc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c2ccccc21.
What is the InChIKey of N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is DCDBHCLBLSDQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S/c1-27-19-5-3-2-4-18(19)23(26-27)32(29,30)17-8-6-15(7-9-17)13-25-22(28)20-12-16-10-11-24-14-21(16)31-20/h2-12,14H,13H2,1H3,(H,25,28).
What are the key properties of N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155093945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).