N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline

C30H30N6S — CID 145308192

About N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline

N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline (PubChem CID 145308192) has the molecular formula C30H30N6S and a molecular weight of 506.68 g/mol. Its IUPAC name is N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline.

Molecular Properties

• Compound Name: N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline
• PubChem CID: 145308192
• Molecular Formula: C30H30N6S
• Molecular Weight: 506.68 g/mol
• Exact Mass: 506.23
• IUPAC Name: N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline
• SMILES: C=C(c1nc2c(-c3ccc(C)s3)cncc2[nH]1)c1cc(-c2cncc(CN3CCCC3)c2)ccc1NC
• InChI: InChI=1S/C30H30N6S/c1-19-6-9-28(37-19)25-16-33-17-27-29(25)35-30(34-27)20(2)24-13-22(7-8-26(24)31-3)23-12-21(14-32-15-23)18-36-10-4-5-11-36/h6-9,12-17,31H,2,4-5,10-11,18H2,1,3H3,(H,34,35)
• InChIKey: SJXIVCIYYAGMOB-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.68
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline?

The IUPAC name of N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline (CID 145308192) is N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline.

What is the SMILES notation for N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline?

The canonical SMILES for N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline is C=C(c1nc2c(-c3ccc(C)s3)cncc2[nH]1)c1cc(-c2cncc(CN3CCCC3)c2)ccc1NC.

What is the InChIKey of N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline?

The InChIKey is SJXIVCIYYAGMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6S/c1-19-6-9-28(37-19)25-16-33-17-27-29(25)35-30(34-27)20(2)24-13-22(7-8-26(24)31-3)23-12-21(14-32-15-23)18-36-10-4-5-11-36/h6-9,12-17,31H,2,4-5,10-11,18H2,1,3H3,(H,34,35).

What are the key properties of N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline?

N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline has a molecular weight of 506.68 g/mol, XLogP of 6.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[1-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]aniline is sourced from PubChem (CID 145308192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).