N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine

C34H36N6 — CID 145246963

About N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine

N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine (PubChem CID 145246963) has the molecular formula C34H36N6 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
• PubChem CID: 145246963
• Molecular Formula: C34H36N6
• Molecular Weight: 528.70 g/mol
• Exact Mass: 528.30
• IUPAC Name: N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
• SMILES: C=C(CC1CCCCC1)Nc1cncc(C(=C)/C=c2/c(-c3cc4c(C5=CCC=C5)ccnc4[nH]3)n[nH]/c2=C/C)c1
• InChI: InChI=1S/C34H36N6/c1-4-31-30(16-22(2)26-18-27(21-35-20-26)37-23(3)17-24-10-6-5-7-11-24)33(40-39-31)32-19-29-28(25-12-8-9-13-25)14-15-36-34(29)38-32/h4,8,12-16,18-21,24,37,39H,2-3,5-7,9-11,17H2,1H3,(H,36,38)/b30-16+,31-4+
• InChIKey: TZDWLBGJOBQDSH-RWVKLFQRSA-N
• XLogP: 6.88
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.70
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine?

The IUPAC name of N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine (CID 145246963) is N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine.

What is the SMILES notation for N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine?

The canonical SMILES for N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine is C=C(CC1CCCCC1)Nc1cncc(C(=C)/C=c2/c(-c3cc4c(C5=CCC=C5)ccnc4[nH]3)n[nH]/c2=C/C)c1.

What is the InChIKey of N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine?

The InChIKey is TZDWLBGJOBQDSH-RWVKLFQRSA-N. The full InChI is InChI=1S/C34H36N6/c1-4-31-30(16-22(2)26-18-27(21-35-20-26)37-23(3)17-24-10-6-5-7-11-24)33(40-39-31)32-19-29-28(25-12-8-9-13-25)14-15-36-34(29)38-32/h4,8,12-16,18-21,24,37,39H,2-3,5-7,9-11,17H2,1H3,(H,36,38)/b30-16+,31-4+.

What are the key properties of N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine?

N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine has a molecular weight of 528.70 g/mol, XLogP of 6.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclohexylprop-1-en-2-yl)-5-[(3E)-3-[(5E)-3-(4-cyclopenta-1,4-dien-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine is sourced from PubChem (CID 145246963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).