N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C44H39FN8O7S2 — CID 90013056

IUPACN-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)COc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cncc(F)c2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C24H24N4O4S.C20H15FN4O3S/c1-16(2)15-32-20-4-3-5-22(11-20)33(30,31)21-8-6-17(7-9-21)12-26-24(29)19-10-18-14-27-28-23(18)25-13-19;21-15-8-17(12-23-11-15)29(27,28)16-3-1-13(2-4-16)9-24-20(26)19-7-14-10-22-6-5-18(14)25-19/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,29)(H,25,27,28);1-8,10-12,25H,9H2,(H,24,26)
InChIKeyXYFYTDRGRQFEPY-UHFFFAOYSA-N
MW874.98 g/mol
LogP6.62
Rot. Bonds13

About N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 90013056) has the molecular formula C44H39FN8O7S2 and a molecular weight of 874.98 g/mol. Its IUPAC name is N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID90013056
Molecular FormulaC44H39FN8O7S2
Molecular Weight874.98 g/mol
Exact Mass874.24
IUPAC NameN-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)COc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cncc(F)c2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C24H24N4O4S.C20H15FN4O3S/c1-16(2)15-32-20-4-3-5-22(11-20)33(30,31)21-8-6-17(7-9-21)12-26-24(29)19-10-18-14-27-28-23(18)25-13-19;21-15-8-17(12-23-11-15)29(27,28)16-3-1-13(2-4-16)9-24-20(26)19-7-14-10-22-6-5-18(14)25-19/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,29)(H,25,27,28);1-8,10-12,25H,9H2,(H,24,26)
InChIKeyXYFYTDRGRQFEPY-UHFFFAOYSA-N
XLogP6.62
TPSA218.85 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500874.98
LogP ≤ 56.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

CID 71728173
CID 71728173
CID 118160952
CID 118160952
CID 118193530
CID 118193530
CID 66612521
CID 66612521
CID 66612542
CID 66612542
CID 66613516
CID 66613516
CID 66613607
CID 66613607
CID 66613702
CID 66613702
CID 66613856
CID 66613856
CID 66613981
CID 66613981
CID 68277401
CID 68277401
CID 68277564
CID 68277564

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 90013056) is N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)COc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c1.O=C(NCc1ccc(S(=O)(=O)c2cncc(F)c2)cc1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XYFYTDRGRQFEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S.C20H15FN4O3S/c1-16(2)15-32-20-4-3-5-22(11-20)33(30,31)21-8-6-17(7-9-21)12-26-24(29)19-10-18-14-27-28-23(18)25-13-19;21-15-8-17(12-23-11-15)29(27,28)16-3-1-13(2-4-16)9-24-20(26)19-7-14-10-22-6-5-18(14)25-19/h3-11,13-14,16H,12,15H2,1-2H3,(H,26,29)(H,25,27,28);1-8,10-12,25H,9H2,(H,24,26).
What are the key properties of N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 874.98 g/mol, XLogP of 6.62, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-fluoro-3-pyridinyl)sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[3-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90013056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).