N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide

C24H19N5O2S — CID 167797997

IUPACN-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide
SMILESO=C(NCc1ccc(CNC(=O)c2nccc3ccsc23)cc1)c1ccc2cc[nH]c2n1
InChIInChI=1S/C24H19N5O2S/c30-23(19-6-5-18-8-11-26-22(18)29-19)27-13-15-1-3-16(4-2-15)14-28-24(31)20-21-17(7-10-25-20)9-12-32-21/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyBESUMNSARXXFBH-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.03
Rot. Bonds6

About N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide

N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide (PubChem CID 167797997) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide
PubChem CID167797997
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC NameN-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide
SMILESO=C(NCc1ccc(CNC(=O)c2nccc3ccsc23)cc1)c1ccc2cc[nH]c2n1
InChIInChI=1S/C24H19N5O2S/c30-23(19-6-5-18-8-11-26-22(18)29-19)27-13-15-1-3-16(4-2-15)14-28-24(31)20-21-17(7-10-25-20)9-12-32-21/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyBESUMNSARXXFBH-UHFFFAOYSA-N
XLogP4.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide with MolForge

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Related Compounds

N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 139010156
N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)quinoline-2-carboxamide
CID 134791858
N'-(3-methoxypyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
CID 138043475
N-benzyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-2-carboxamide
CID 130459068
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
6-methyl-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 110462485
N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 136566826
2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one
CID 71743078
N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
CID 138042469
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide (CID 167797997) is N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide is O=C(NCc1ccc(CNC(=O)c2nccc3ccsc23)cc1)c1ccc2cc[nH]c2n1.
What is the InChIKey of N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide?
The InChIKey is BESUMNSARXXFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c30-23(19-6-5-18-8-11-26-22(18)29-19)27-13-15-1-3-16(4-2-15)14-28-24(31)20-21-17(7-10-25-20)9-12-32-21/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide?
N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 167797997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).