N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C24H21N5O2S — CID 135655995

IUPACN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)c2c1
InChIInChI=1S/C24H21N5O2S/c1-14-10-15(2)27-24-20(14)21(29-8-4-5-9-29)22(32-24)23(30)28-26-13-16-12-25-19-7-6-17(31-3)11-18(16)19/h4-13,25H,1-3H3,(H,28,30)/b26-13+
InChIKeyQGHFWIAVFIYPGU-LGJNPRDNSA-N
MW443.53 g/mol
LogP4.96
Rot. Bonds5

About N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 135655995) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID135655995
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)c2c1
InChIInChI=1S/C24H21N5O2S/c1-14-10-15(2)27-24-20(14)21(29-8-4-5-9-29)22(32-24)23(30)28-26-13-16-12-25-19-7-6-17(31-3)11-18(16)19/h4-13,25H,1-3H3,(H,28,30)/b26-13+
InChIKeyQGHFWIAVFIYPGU-LGJNPRDNSA-N
XLogP4.96
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 10644926
N-[(3,4-dichlorophenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 171132016
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 135399898
4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135606782
N-[[6-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 171132000
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22512644
4,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 17420732
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide
CID 135715694
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 172938324
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135438347

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 135655995) is N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc2[nH]cc(/C=N/NC(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)c2c1.
What is the InChIKey of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QGHFWIAVFIYPGU-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-14-10-15(2)27-24-20(14)21(29-8-4-5-9-29)22(32-24)23(30)28-26-13-16-12-25-19-7-6-17(31-3)11-18(16)19/h4-13,25H,1-3H3,(H,28,30)/b26-13+.
What are the key properties of N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 135655995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).