2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

C61H56F4N14S2 — CID 145034290

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 145034290) has the molecular formula C61H56F4N14S2 and a molecular weight of 1125.34 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• PubChem CID: 145034290
• Molecular Formula: C61H56F4N14S2
• Molecular Weight: 1125.34 g/mol
• Exact Mass: 1124.42
• IUPAC Name: 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• SMILES: C=C(CC(C)C)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(C(=C)C)s6)nccc5[nH]4)c3c2)c1.CC.Cc1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)s1
• InChI: InChI=1S/C31H28FN7S.C28H22F3N7S.C2H6/c1-16(2)10-18(5)35-21-11-20(14-33-15-21)19-12-22-27(23(32)13-19)38-39-28(22)31-36-24-8-9-34-30(29(24)37-31)26-7-6-25(40-26)17(3)4;1-15-2-3-22(39-15)26-25-21(4-6-33-26)34-27(35-25)24-19-9-17(10-20(29)23(19)36-37-24)18-8-16(11-32-12-18)13-38-7-5-28(30,31)14-38;1-2/h6-9,11-16,35H,3,5,10H2,1-2,4H3,(H,36,37)(H,38,39);2-4,6,8-12H,5,7,13-14H2,1H3,(H,34,35)(H,36,37);1-2H3
• InChIKey: WKPBCLFXPKROCC-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 181.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1125.34
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (CID 145034290) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is C=C(CC(C)C)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(C(=C)C)s6)nccc5[nH]4)c3c2)c1.CC.Cc1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)s1.

What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The InChIKey is WKPBCLFXPKROCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN7S.C28H22F3N7S.C2H6/c1-16(2)10-18(5)35-21-11-20(14-33-15-21)19-12-22-27(23(32)13-19)38-39-28(22)31-36-24-8-9-34-30(29(24)37-31)26-7-6-25(40-26)17(3)4;1-15-2-3-22(39-15)26-25-21(4-6-33-26)34-27(35-25)24-19-9-17(10-20(29)23(19)36-37-24)18-8-16(11-32-12-18)13-38-7-5-28(30,31)14-38;1-2/h6-9,11-16,35H,3,5,10H2,1-2,4H3,(H,36,37)(H,38,39);2-4,6,8-12H,5,7,13-14H2,1H3,(H,34,35)(H,36,37);1-2H3.

What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 1125.34 g/mol, XLogP of 16.04, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145034290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).