5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine

C27H26N6S — CID 145246196

About 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine

5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 145246196) has the molecular formula C27H26N6S and a molecular weight of 466.61 g/mol. Its IUPAC name is 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine
• PubChem CID: 145246196
• Molecular Formula: C27H26N6S
• Molecular Weight: 466.61 g/mol
• Exact Mass: 466.19
• IUPAC Name: 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine
• SMILES: C=C(/C=c1/c(-c2cc3c(-c4ccc(C)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(N(C)C)c1
• InChI: InChI=1S/C27H26N6S/c1-6-23-21(9-16(2)18-10-19(33(4)5)13-28-12-18)27(32-31-23)24-11-20-22(14-29-15-25(20)30-24)26-8-7-17(3)34-26/h6-15,30-31H,2H2,1,3-5H3/b21-9+,23-6+
• InChIKey: CWQDDJXIJWPAFY-LURDXUQDSA-N
• XLogP: 4.75
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.61
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine (CID 145246196) is 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine.

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

The canonical SMILES for 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine is C=C(/C=c1/c(-c2cc3c(-c4ccc(C)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(N(C)C)c1.

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

The InChIKey is CWQDDJXIJWPAFY-LURDXUQDSA-N. The full InChI is InChI=1S/C27H26N6S/c1-6-23-21(9-16(2)18-10-19(33(4)5)13-28-12-18)27(32-31-23)24-11-20-22(14-29-15-25(20)30-24)26-8-7-17(3)34-26/h6-15,30-31H,2H2,1,3-5H3/b21-9+,23-6+.

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

5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 466.61 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 145246196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).