N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide

C45H38FN7O7S3 — CID 158967187

IUPACN-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)ccc1F.O=C(NCc1ccc(S(=O)(=O)c2cncc(N3CCCC3)c2)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C24H22N4O3S2.C21H16FN3O4S/c29-24(18-5-8-22-23(11-18)32-16-27-22)26-13-17-3-6-20(7-4-17)33(30,31)21-12-19(14-25-15-21)28-9-1-2-10-28;1-13-17(22)6-7-20(25-13)30(27,28)16-4-2-14(3-5-16)11-24-21(26)18-10-15-8-9-23-12-19(15)29-18/h3-8,11-12,14-16H,1-2,9-10,13H2,(H,26,29);2-10,12H,11H2,1H3,(H,24,26)
InChIKeyJNIVXVYNRYECBK-UHFFFAOYSA-N
MW904.04 g/mol
LogP7.49
Rot. Bonds11

About N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide

N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 158967187) has the molecular formula C45H38FN7O7S3 and a molecular weight of 904.04 g/mol. Its IUPAC name is N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID158967187
Molecular FormulaC45H38FN7O7S3
Molecular Weight904.04 g/mol
Exact Mass903.20
IUPAC NameN-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)ccc1F.O=C(NCc1ccc(S(=O)(=O)c2cncc(N3CCCC3)c2)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C24H22N4O3S2.C21H16FN3O4S/c29-24(18-5-8-22-23(11-18)32-16-27-22)26-13-17-3-6-20(7-4-17)33(30,31)21-12-19(14-25-15-21)28-9-1-2-10-28;1-13-17(22)6-7-20(25-13)30(27,28)16-4-2-14(3-5-16)11-24-21(26)18-10-15-8-9-23-12-19(15)29-18/h3-8,11-12,14-16H,1-2,9-10,13H2,(H,26,29);2-10,12H,11H2,1H3,(H,24,26)
InChIKeyJNIVXVYNRYECBK-UHFFFAOYSA-N
XLogP7.49
TPSA194.42 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500904.04
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610729
N-[[5-[(5-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193628
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-fluoro-5-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609762
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3H-benzimidazole-5-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 160855051
N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 155093945
N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 88919820
N-[[4-(3-pyrrolidin-1-ylphenyl)sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 66609056
N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123232842
N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012795

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide (CID 158967187) is N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide is Cc1nc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)ccc1F.O=C(NCc1ccc(S(=O)(=O)c2cncc(N3CCCC3)c2)cc1)c1ccc2ncsc2c1.
What is the InChIKey of N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is JNIVXVYNRYECBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2.C21H16FN3O4S/c29-24(18-5-8-22-23(11-18)32-16-27-22)26-13-17-3-6-20(7-4-17)33(30,31)21-12-19(14-25-15-21)28-9-1-2-10-28;1-13-17(22)6-7-20(25-13)30(27,28)16-4-2-14(3-5-16)11-24-21(26)18-10-15-8-9-23-12-19(15)29-18/h3-8,11-12,14-16H,1-2,9-10,13H2,(H,26,29);2-10,12H,11H2,1H3,(H,24,26).
What are the key properties of N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide?
N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 904.04 g/mol, XLogP of 7.49, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-fluoro-6-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-pyrrolidin-1-yl-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 158967187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).