N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane

C55H42F4N14S2 — CID 145034487

About N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane

N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane (PubChem CID 145034487) has the molecular formula C55H42F4N14S2 and a molecular weight of 1039.16 g/mol. Its IUPAC name is N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane.

Molecular Properties

• Compound Name: N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane
• PubChem CID: 145034487
• Molecular Formula: C55H42F4N14S2
• Molecular Weight: 1039.16 g/mol
• Exact Mass: 1038.31
• IUPAC Name: N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane
• SMILES: CC(C)C.Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(CNCc7ccccc7)c6)cc45)nc23)s1.Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncnc6)cc45)nc23)s1
• InChI: InChI=1S/C30H21F2N7S.C21H11F2N7S.C4H10/c31-22-12-24-21(11-20(22)19-10-18(15-34-16-19)14-33-13-17-4-2-1-3-5-17)27(39-38-24)30-36-23-8-9-35-29(28(23)37-30)25-6-7-26(32)40-25;22-13-6-15-12(5-11(13)10-7-24-9-25-8-10)18(30-29-15)21-27-14-3-4-26-20(19(14)28-21)16-1-2-17(23)31-16;1-4(2)3/h1-12,15-16,33H,13-14H2,(H,36,37)(H,38,39);1-9H,(H,27,28)(H,29,30);4H,1-3H3
• InChIKey: GJQHGOYIQKJNTQ-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 191.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.16
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane?

The IUPAC name of N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane (CID 145034487) is N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane.

What is the SMILES notation for N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane?

The canonical SMILES for N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane is CC(C)C.Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(CNCc7ccccc7)c6)cc45)nc23)s1.Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncnc6)cc45)nc23)s1.

What is the InChIKey of N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane?

The InChIKey is GJQHGOYIQKJNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F2N7S.C21H11F2N7S.C4H10/c31-22-12-24-21(11-20(22)19-10-18(15-34-16-19)14-33-13-17-4-2-1-3-5-17)27(39-38-24)30-36-23-8-9-35-29(28(23)37-30)25-6-7-26(32)40-25;22-13-6-15-12(5-11(13)10-7-24-9-25-8-10)18(30-29-15)21-27-14-3-4-26-20(19(14)28-21)16-1-2-17(23)31-16;1-4(2)3/h1-12,15-16,33H,13-14H2,(H,36,37)(H,38,39);1-9H,(H,27,28)(H,29,30);4H,1-3H3.

What are the key properties of N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane?

N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane has a molecular weight of 1039.16 g/mol, XLogP of 13.49, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[6-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;2-(6-fluoro-5-pyrimidin-5-yl-1H-indazol-3-yl)-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine;2-methylpropane is sourced from PubChem (CID 145034487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).