1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide

C33H28FN5O3 — CID 155369034

About 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide

1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide (PubChem CID 155369034) has the molecular formula C33H28FN5O3 and a molecular weight of 561.62 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide
• PubChem CID: 155369034
• Molecular Formula: C33H28FN5O3
• Molecular Weight: 561.62 g/mol
• Exact Mass: 561.22
• IUPAC Name: 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide
• SMILES: CC1Cc2cc(F)ccc2N1C(=O)C1(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cnn(C)c5)ccc34)cc2)CC1
• InChI: InChI=1S/C33H28FN5O3/c1-20-15-22-16-24(34)4-10-29(22)39(20)32(41)33(12-13-33)31(40)37-25-5-7-26(8-6-25)42-30-11-14-35-28-17-21(3-9-27(28)30)23-18-36-38(2)19-23/h3-11,14,16-20H,12-13,15H2,1-2H3,(H,37,40)
• InChIKey: CFXFSVSIRUIOLR-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.62
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide (CID 155369034) is 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide is CC1Cc2cc(F)ccc2N1C(=O)C1(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cnn(C)c5)ccc34)cc2)CC1.

What is the InChIKey of 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide?

The InChIKey is CFXFSVSIRUIOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN5O3/c1-20-15-22-16-24(34)4-10-29(22)39(20)32(41)33(12-13-33)31(40)37-25-5-7-26(8-6-25)42-30-11-14-35-28-17-21(3-9-27(28)30)23-18-36-38(2)19-23/h3-11,14,16-20H,12-13,15H2,1-2H3,(H,37,40).

What are the key properties of 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide?

1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide has a molecular weight of 561.62 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-2-methyl-2,3-dihydroindole-1-carbonyl)-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155369034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).