ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

C63H57N15 — CID 145254620

About ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145254620) has the molecular formula C63H57N15 and a molecular weight of 1024.25 g/mol. Its IUPAC name is ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 145254620
• Molecular Formula: C63H57N15
• Molecular Weight: 1024.25 g/mol
• Exact Mass: 1023.49
• IUPAC Name: ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccncc5)cncc4[nH]3)c2n1)NC(=C)c1ccccc1.CC.c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)cc23)ccn1
• InChI: InChI=1S/C33H27N7.C28H24N8.C2H6/c1-4-22(17-25(5-2)36-21(3)23-9-7-6-8-10-23)28-11-12-29-32(38-28)33(40-39-29)30-18-26-27(19-35-20-31(26)37-30)24-13-15-34-16-14-24;1-2-10-36(9-1)17-18-11-20(14-30-13-18)23-3-4-24-27(33-23)28(35-34-24)25-12-21-22(15-31-16-26(21)32-25)19-5-7-29-8-6-19;1-2/h4-20,36-37H,2-3H2,1H3,(H,39,40);3-8,11-16,32H,1-2,9-10,17H2,(H,34,35);1-2H3/b22-4+,25-17+
• InChIKey: JCKUEZBNTCDDBY-MYXZHKLDSA-N
• XLogP: 13.54
• TPSA: 194.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1024.25
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 145254620) is ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is C=C/C(=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(-c5ccncc5)cncc4[nH]3)c2n1)NC(=C)c1ccccc1.CC.c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)nc45)cc23)ccn1.

What is the InChIKey of ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is JCKUEZBNTCDDBY-MYXZHKLDSA-N. The full InChI is InChI=1S/C33H27N7.C28H24N8.C2H6/c1-4-22(17-25(5-2)36-21(3)23-9-7-6-8-10-23)28-11-12-29-32(38-28)33(40-39-29)30-18-26-27(19-35-20-31(26)37-30)24-13-15-34-16-14-24;1-2-10-36(9-1)17-18-11-20(14-30-13-18)23-3-4-24-27(33-23)28(35-34-24)25-12-21-22(15-31-16-26(21)32-25)19-5-7-29-8-6-19;1-2/h4-20,36-37H,2-3H2,1H3,(H,39,40);3-8,11-16,32H,1-2,9-10,17H2,(H,34,35);1-2H3/b22-4+,25-17+;;.

What are the key properties of ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 1024.25 g/mol, XLogP of 13.54, 13 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(3E,5E)-N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]hepta-1,3,5-trien-3-amine;3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145254620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).