3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine

C60H46F2N12S2 — CID 145254710

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

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (PubChem CID 145254710) has the molecular formula C60H46F2N12S2 and a molecular weight of 1037.24 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
• PubChem CID: 145254710
• Molecular Formula: C60H46F2N12S2
• Molecular Weight: 1037.24 g/mol
• Exact Mass: 1036.34
• IUPAC Name: 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.CC1CCN(Cc2cncc(-c3cc4c(-c5cc6c(-c7ccc(F)s7)cccc6[nH]5)n[nH]c4cn3)c2)C1
• InChI: InChI=1S/C31H21FN6S.C29H25FN6S/c1-18(19-6-3-2-4-7-19)35-21-12-20(15-33-16-21)26-14-24-28(17-34-26)37-38-31(24)27-13-23-22(8-5-9-25(23)36-27)29-10-11-30(32)39-29;1-17-7-8-36(15-17)16-18-9-19(13-31-12-18)24-11-22-26(14-32-24)34-35-29(22)25-10-21-20(3-2-4-23(21)33-25)27-5-6-28(30)37-27/h2-17,35-36H,1H2,(H,37,38);2-6,9-14,17,33H,7-8,15-16H2,1H3,(H,34,35)
• InChIKey: LWPORJVOBNBXBO-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 155.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.24
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine (CID 145254710) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine.

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

The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is C=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cccc5[nH]4)n[nH]c3cn2)c1)c1ccccc1.CC1CCN(Cc2cncc(-c3cc4c(-c5cc6c(-c7ccc(F)s7)cccc6[nH]5)n[nH]c4cn3)c2)C1.

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

The InChIKey is LWPORJVOBNBXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN6S.C29H25FN6S/c1-18(19-6-3-2-4-7-19)35-21-12-20(15-33-16-21)26-14-24-28(17-34-26)37-38-31(24)27-13-23-22(8-5-9-25(23)36-27)29-10-11-30(32)39-29;1-17-7-8-36(15-17)16-18-9-19(13-31-12-18)24-11-22-26(14-32-24)34-35-29(22)25-10-21-20(3-2-4-23(21)33-25)27-5-6-28(30)37-27/h2-17,35-36H,1H2,(H,37,38);2-6,9-14,17,33H,7-8,15-16H2,1H3,(H,34,35).

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

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine has a molecular weight of 1037.24 g/mol, XLogP of 15.00, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine;5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(1-phenylethenyl)pyridin-3-amine is sourced from PubChem (CID 145254710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).