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

C28H25N7OS — CID 70158981

IUPACN,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide
SMILESCc1cc2cc(Nc3ccnc4cc(-c5cnc(C(=O)N(C)Cc6cccnc6)n5C)sc34)ccc2[nH]1
InChIInChI=1S/C28H25N7OS/c1-17-11-19-12-20(6-7-21(19)32-17)33-22-8-10-30-23-13-25(37-26(22)23)24-15-31-27(35(24)3)28(36)34(2)16-18-5-4-9-29-14-18/h4-15,32H,16H2,1-3H3,(H,30,33)
InChIKeyJNGLOFWFFCEZII-UHFFFAOYSA-N
MW507.62 g/mol
LogP5.90
Rot. Bonds6

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

N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide (PubChem CID 70158981) has the molecular formula C28H25N7OS and a molecular weight of 507.62 g/mol. Its IUPAC name is N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide
PubChem CID70158981
Molecular FormulaC28H25N7OS
Molecular Weight507.62 g/mol
Exact Mass507.18
IUPAC NameN,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide
SMILESCc1cc2cc(Nc3ccnc4cc(-c5cnc(C(=O)N(C)Cc6cccnc6)n5C)sc34)ccc2[nH]1
InChIInChI=1S/C28H25N7OS/c1-17-11-19-12-20(6-7-21(19)32-17)33-22-8-10-30-23-13-25(37-26(22)23)24-15-31-27(35(24)3)28(36)34(2)16-18-5-4-9-29-14-18/h4-15,32H,16H2,1-3H3,(H,30,33)
InChIKeyJNGLOFWFFCEZII-UHFFFAOYSA-N
XLogP5.90
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 91246821
5-(7-chlorothieno[3,2-b]pyridin-2-yl)-N,1-dimethyl-N-(pyridin-4-ylmethyl)imidazole-2-carboxamide
CID 70158420
4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid
CID 22278669
2-[1-[2-(4-iodoanilino)ethyl]-5-oxo-1,2,4-triazol-4-yl]-N,4-dimethyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 71056933
4-(ethylamino)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62168228
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
N-methyl-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 47112744
N,6-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 78893836
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide?
The IUPAC name of N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide (CID 70158981) is N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide is Cc1cc2cc(Nc3ccnc4cc(-c5cnc(C(=O)N(C)Cc6cccnc6)n5C)sc34)ccc2[nH]1.
What is the InChIKey of N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide?
The InChIKey is JNGLOFWFFCEZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7OS/c1-17-11-19-12-20(6-7-21(19)32-17)33-22-8-10-30-23-13-25(37-26(22)23)24-15-31-27(35(24)3)28(36)34(2)16-18-5-4-9-29-14-18/h4-15,32H,16H2,1-3H3,(H,30,33).
What are the key properties of N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide?
N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide has a molecular weight of 507.62 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide is sourced from PubChem (CID 70158981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).