1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide

C28H25N7OS — CID 70158980

IUPAC1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide
SMILESCc1cc2cc(Nc3ccnc4cc(-c5cnc(C(=O)NC(C)c6cccnc6)n5C)sc34)ccc2[nH]1
InChIInChI=1S/C28H25N7OS/c1-16-11-19-12-20(6-7-21(19)32-16)34-22-8-10-30-23-13-25(37-26(22)23)24-15-31-27(35(24)3)28(36)33-17(2)18-5-4-9-29-14-18/h4-15,17,32H,1-3H3,(H,30,34)(H,33,36)
InChIKeyIVEFNTZODXSHIH-UHFFFAOYSA-N
MW507.62 g/mol
LogP6.12
Rot. Bonds6

About 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide

1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide (PubChem CID 70158980) has the molecular formula C28H25N7OS and a molecular weight of 507.62 g/mol. Its IUPAC name is 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide
PubChem CID70158980
Molecular FormulaC28H25N7OS
Molecular Weight507.62 g/mol
Exact Mass507.18
IUPAC Name1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide
SMILESCc1cc2cc(Nc3ccnc4cc(-c5cnc(C(=O)NC(C)c6cccnc6)n5C)sc34)ccc2[nH]1
InChIInChI=1S/C28H25N7OS/c1-16-11-19-12-20(6-7-21(19)32-16)34-22-8-10-30-23-13-25(37-26(22)23)24-15-31-27(35(24)3)28(36)33-17(2)18-5-4-9-29-14-18/h4-15,17,32H,1-3H3,(H,30,34)(H,33,36)
InChIKeyIVEFNTZODXSHIH-UHFFFAOYSA-N
XLogP6.12
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 56.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide?
The IUPAC name of 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide (CID 70158980) is 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide is Cc1cc2cc(Nc3ccnc4cc(-c5cnc(C(=O)NC(C)c6cccnc6)n5C)sc34)ccc2[nH]1.
What is the InChIKey of 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide?
The InChIKey is IVEFNTZODXSHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7OS/c1-16-11-19-12-20(6-7-21(19)32-16)34-22-8-10-30-23-13-25(37-26(22)23)24-15-31-27(35(24)3)28(36)33-17(2)18-5-4-9-29-14-18/h4-15,17,32H,1-3H3,(H,30,34)(H,33,36).
What are the key properties of 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide?
1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide has a molecular weight of 507.62 g/mol, XLogP of 6.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide is sourced from PubChem (CID 70158980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).