5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane

C55H47F4N13S2 — CID 145034717

About 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane

5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane (PubChem CID 145034717) has the molecular formula C55H47F4N13S2 and a molecular weight of 1030.20 g/mol. Its IUPAC name is 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane.

Molecular Properties

• Compound Name: 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane
• PubChem CID: 145034717
• Molecular Formula: C55H47F4N13S2
• Molecular Weight: 1030.20 g/mol
• Exact Mass: 1029.35
• IUPAC Name: 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane
• SMILES: C=C(CC(C)C)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.CC(C)C.Cc1ccncc1-c1cc(F)c2n[nH]c(-c3nc4c(-c5ccc(F)s5)nccc4[nH]3)c2c1
• InChI: InChI=1S/C28H23F2N7S.C23H14F2N6S.C4H10/c1-14(2)8-15(3)33-18-9-17(12-31-13-18)16-10-19-24(20(29)11-16)36-37-25(19)28-34-21-6-7-32-27(26(21)35-28)22-4-5-23(30)38-22;1-11-4-6-26-10-14(11)12-8-13-19(15(24)9-12)30-31-20(13)23-28-16-5-7-27-22(21(16)29-23)17-2-3-18(25)32-17;1-4(2)3/h4-7,9-14,33H,3,8H2,1-2H3,(H,34,35)(H,36,37);2-10H,1H3,(H,28,29)(H,30,31);4H,1-3H3
• InChIKey: CTSKWSNJJWJKCW-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 178.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1030.20
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane?

The IUPAC name of 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane (CID 145034717) is 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane.

What is the SMILES notation for 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane?

The canonical SMILES for 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane is C=C(CC(C)C)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1.CC(C)C.Cc1ccncc1-c1cc(F)c2n[nH]c(-c3nc4c(-c5ccc(F)s5)nccc4[nH]3)c2c1.

What is the InChIKey of 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane?

The InChIKey is CTSKWSNJJWJKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N7S.C23H14F2N6S.C4H10/c1-14(2)8-15(3)33-18-9-17(12-31-13-18)16-10-19-24(20(29)11-16)36-37-25(19)28-34-21-6-7-32-27(26(21)35-28)22-4-5-23(30)38-22;1-11-4-6-26-10-14(11)12-8-13-19(15(24)9-12)30-31-20(13)23-28-16-5-7-27-22(21(16)29-23)17-2-3-18(25)32-17;1-4(2)3/h4-7,9-14,33H,3,8H2,1-2H3,(H,34,35)(H,36,37);2-10H,1H3,(H,28,29)(H,30,31);4H,1-3H3.

What are the key properties of 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane?

5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane has a molecular weight of 1030.20 g/mol, XLogP of 15.08, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-fluoro-3-[4-(5-fluorothiophen-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-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane is sourced from PubChem (CID 145034717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).