5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine

C29H29N7S — CID 145037593

About 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine

5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine (PubChem CID 145037593) has the molecular formula C29H29N7S and a molecular weight of 507.67 g/mol. Its IUPAC name is 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine
• PubChem CID: 145037593
• Molecular Formula: C29H29N7S
• Molecular Weight: 507.67 g/mol
• Exact Mass: 507.22
• IUPAC Name: 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine
• SMILES: C=C(CCCC)Nc1cncc(C(=C)/C=c2/c(-c3nc4c(-c5ccsc5)cncc4[nH]3)n[nH]/c2=C/C)c1
• InChI: InChI=1S/C29H29N7S/c1-5-7-8-19(4)32-22-12-21(13-30-14-22)18(3)11-23-25(6-2)35-36-28(23)29-33-26-16-31-15-24(27(26)34-29)20-9-10-37-17-20/h6,9-17,32,35H,3-5,7-8H2,1-2H3,(H,33,34)/b23-11+,25-6+
• InChIKey: ILTGEYWUVHXNDP-GGGSJXNCSA-N
• XLogP: 5.88
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.67
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine?

The IUPAC name of 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine (CID 145037593) is 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine.

What is the SMILES notation for 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine?

The canonical SMILES for 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine is C=C(CCCC)Nc1cncc(C(=C)/C=c2/c(-c3nc4c(-c5ccsc5)cncc4[nH]3)n[nH]/c2=C/C)c1.

What is the InChIKey of 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine?

The InChIKey is ILTGEYWUVHXNDP-GGGSJXNCSA-N. The full InChI is InChI=1S/C29H29N7S/c1-5-7-8-19(4)32-22-12-21(13-30-14-22)18(3)11-23-25(6-2)35-36-28(23)29-33-26-16-31-15-24(27(26)34-29)20-9-10-37-17-20/h6,9-17,32,35H,3-5,7-8H2,1-2H3,(H,33,34)/b23-11+,25-6+.

What are the key properties of 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine?

5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine has a molecular weight of 507.67 g/mol, XLogP of 5.88, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3E)-3-[(5E)-5-ethylidene-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-hex-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 145037593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).