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

C63H54N14 — CID 145254678

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

ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145254678) has the molecular formula C63H54N14 and a molecular weight of 1007.22 g/mol. Its IUPAC name is ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145254678
• Molecular Formula: C63H54N14
• Molecular Weight: 1007.22 g/mol
• Exact Mass: 1006.47
• IUPAC Name: ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.CC.c1cc(-c2ccncc2)c2cc(-c3n[nH]c4cnc(-c5cncc(CN6CCCC6)c5)cc34)[nH]c2c1
• InChI: InChI=1S/C32H23N7.C29H25N7.C2H6/c1-20(21-6-3-2-4-7-21)36-24-14-23(17-34-18-24)29-16-27-31(19-35-29)38-39-32(27)30-15-26-25(8-5-9-28(26)37-30)22-10-12-33-13-11-22;1-2-11-36(10-1)18-19-12-21(16-31-15-19)26-14-24-28(17-32-26)34-35-29(24)27-13-23-22(4-3-5-25(23)33-27)20-6-8-30-9-7-20;1-2/h2-19,36-37H,1H2,(H,38,39);3-9,12-17,33H,1-2,10-11,18H2,(H,34,35);1-2H3
• InChIKey: LGNIALUWPZNMEW-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 181.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1007.22
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 145254678) is ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccncc6)cccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.CC.c1cc(-c2ccncc2)c2cc(-c3n[nH]c4cnc(-c5cncc(CN6CCCC6)c5)cc34)[nH]c2c1.

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

The InChIKey is LGNIALUWPZNMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N7.C29H25N7.C2H6/c1-20(21-6-3-2-4-7-21)36-24-14-23(17-34-18-24)29-16-27-31(19-35-29)38-39-32(27)30-15-26-25(8-5-9-28(26)37-30)22-10-12-33-13-11-22;1-2-11-36(10-1)18-19-12-21(16-31-15-19)26-14-24-28(17-32-26)34-35-29(24)27-13-23-22(4-3-5-25(23)33-27)20-6-8-30-9-7-20;1-2/h2-19,36-37H,1H2,(H,38,39);3-9,12-17,33H,1-2,10-11,18H2,(H,34,35);1-2H3.

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

ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 1007.22 g/mol, XLogP of 14.17, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-(1-phenylethenyl)-5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine;3-(4-pyridin-4-yl-1H-indol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145254678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).