5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole

C60H46F2N12S2 — CID 145253850

About 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole

5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole (PubChem CID 145253850) has the molecular formula C60H46F2N12S2 and a molecular weight of 1037.24 g/mol. Its IUPAC name is 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole.

Molecular Properties

• Compound Name: 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole
• PubChem CID: 145253850
• Molecular Formula: C60H46F2N12S2
• Molecular Weight: 1037.24 g/mol
• Exact Mass: 1036.34
• IUPAC Name: 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)ccnc5[nH]4)c3c2)c1)c1ccccc1.CC1CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccc(F)s7)ccnc6[nH]5)c4c3)c2)C1
• InChI: InChI=1S/C31H21FN6S.C29H25FN6S/c1-18(19-5-3-2-4-6-19)35-22-13-21(16-33-17-22)20-7-8-26-25(14-20)30(38-37-26)27-15-24-23(11-12-34-31(24)36-27)28-9-10-29(32)39-28;1-17-7-9-36(15-17)16-18-10-20(14-31-13-18)19-2-3-24-23(11-19)28(35-34-24)25-12-22-21(6-8-32-29(22)33-25)26-4-5-27(30)37-26/h2-17,35H,1H2,(H,34,36)(H,37,38);2-6,8,10-14,17H,7,9,15-16H2,1H3,(H,32,33)(H,34,35)
• InChIKey: NRFCLWPHZCKJTC-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 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole?

The IUPAC name of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole (CID 145253850) is 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole.

What is the SMILES notation for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole?

The canonical SMILES for 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)ccnc5[nH]4)c3c2)c1)c1ccccc1.CC1CCN(Cc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccc(F)s7)ccnc6[nH]5)c4c3)c2)C1.

What is the InChIKey of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole?

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

What are the key properties of 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole?

5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole 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 5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-[5-[(3-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 145253850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).