4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide

C30H31F2N5O4 — CID 175877652

About 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide

4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide (PubChem CID 175877652) has the molecular formula C30H31F2N5O4 and a molecular weight of 563.61 g/mol. Its IUPAC name is 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide
• PubChem CID: 175877652
• Molecular Formula: C30H31F2N5O4
• Molecular Weight: 563.61 g/mol
• Exact Mass: 563.23
• IUPAC Name: 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide
• SMILES: COc1cc(C(N)=O)cc2c(CC3(c4cc(C(C)(C)O)c(F)c(-c5ccc(F)cc5)n4)CC(N)CO3)c(C)nnc12
• InChI: InChI=1S/C30H31F2N5O4/c1-15-21(20-9-17(28(34)38)10-23(40-4)27(20)37-36-15)13-30(12-19(33)14-41-30)24-11-22(29(2,3)39)25(32)26(35-24)16-5-7-18(31)8-6-16/h5-11,19,39H,12-14,33H2,1-4H3,(H2,34,38)
• InChIKey: PVCGCSYUTZXAGM-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 146.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.61
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide?

The IUPAC name of 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide (CID 175877652) is 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide.

What is the SMILES notation for 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide?

The canonical SMILES for 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide is COc1cc(C(N)=O)cc2c(CC3(c4cc(C(C)(C)O)c(F)c(-c5ccc(F)cc5)n4)CC(N)CO3)c(C)nnc12.

What is the InChIKey of 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide?

The InChIKey is PVCGCSYUTZXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N5O4/c1-15-21(20-9-17(28(34)38)10-23(40-4)27(20)37-36-15)13-30(12-19(33)14-41-30)24-11-22(29(2,3)39)25(32)26(35-24)16-5-7-18(31)8-6-16/h5-11,19,39H,12-14,33H2,1-4H3,(H2,34,38).

What are the key properties of 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide?

4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide has a molecular weight of 563.61 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-amino-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide is sourced from PubChem (CID 175877652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).