N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C43H41N11O6S3 — CID 90012292

IUPACN-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5cnccc5[nH]4)cc3)cn2)CC1.Cc1nc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cs1
InChIInChI=1S/C25H26N6O3S.C18H15N5O3S2/c1-30-10-12-31(13-11-30)24-7-6-21(17-27-24)35(33,34)20-4-2-18(3-5-20)15-28-25(32)23-14-19-16-26-9-8-22(19)29-23;1-11-22-16(10-27-11)28(25,26)15-4-2-12(3-5-15)7-20-18(24)14-6-13-9-21-23-17(13)19-8-14/h2-9,14,16-17,29H,10-13,15H2,1H3,(H,28,32);2-6,8-10H,7H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyVQMJYIGRBHIWCS-UHFFFAOYSA-N
MW904.07 g/mol
LogP4.96
Rot. Bonds11

About N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 90012292) has the molecular formula C43H41N11O6S3 and a molecular weight of 904.07 g/mol. Its IUPAC name is N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID90012292
Molecular FormulaC43H41N11O6S3
Molecular Weight904.07 g/mol
Exact Mass903.24
IUPAC NameN-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5cnccc5[nH]4)cc3)cn2)CC1.Cc1nc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cs1
InChIInChI=1S/C25H26N6O3S.C18H15N5O3S2/c1-30-10-12-31(13-11-30)24-7-6-21(17-27-24)35(33,34)20-4-2-18(3-5-20)15-28-25(32)23-14-19-16-26-9-8-22(19)29-23;1-11-22-16(10-27-11)28(25,26)15-4-2-12(3-5-15)7-20-18(24)14-6-13-9-21-23-17(13)19-8-14/h2-9,14,16-17,29H,10-13,15H2,1H3,(H,28,32);2-6,8-10H,7H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyVQMJYIGRBHIWCS-UHFFFAOYSA-N
XLogP4.96
TPSA228.99 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.07
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 90012292) is N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4cc5cnccc5[nH]4)cc3)cn2)CC1.Cc1nc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cs1.
What is the InChIKey of N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is VQMJYIGRBHIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S.C18H15N5O3S2/c1-30-10-12-31(13-11-30)24-7-6-21(17-27-24)35(33,34)20-4-2-18(3-5-20)15-28-25(32)23-14-19-16-26-9-8-22(19)29-23;1-11-22-16(10-27-11)28(25,26)15-4-2-12(3-5-15)7-20-18(24)14-6-13-9-21-23-17(13)19-8-14/h2-9,14,16-17,29H,10-13,15H2,1H3,(H,28,32);2-6,8-10H,7H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 904.07 g/mol, XLogP of 4.96, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfonyl]phenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90012292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).