4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide

C32H31N7O3 — CID 171481554

About 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 171481554) has the molecular formula C32H31N7O3 and a molecular weight of 561.65 g/mol. Its IUPAC name is 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
• PubChem CID: 171481554
• Molecular Formula: C32H31N7O3
• Molecular Weight: 561.65 g/mol
• Exact Mass: 561.25
• IUPAC Name: 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2ccc(N3CCN(c4cc(C(C)(C)C)nn4-c4ccc5ncccc5c4)C3=O)cc2)ccn1
• InChI: InChI=1S/C32H31N7O3/c1-32(2,3)28-20-29(39(36-28)23-9-12-26-21(18-23)6-5-14-34-26)38-17-16-37(31(38)41)22-7-10-24(11-8-22)42-25-13-15-35-27(19-25)30(40)33-4/h5-15,18-20H,16-17H2,1-4H3,(H,33,40)
• InChIKey: ZGDDCTHXCVVMDS-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.65
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?

The IUPAC name of 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide (CID 171481554) is 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(N3CCN(c4cc(C(C)(C)C)nn4-c4ccc5ncccc5c4)C3=O)cc2)ccn1.

What is the InChIKey of 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?

The InChIKey is ZGDDCTHXCVVMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O3/c1-32(2,3)28-20-29(39(36-28)23-9-12-26-21(18-23)6-5-14-34-26)38-17-16-37(31(38)41)22-7-10-24(11-8-22)42-25-13-15-35-27(19-25)30(40)33-4/h5-15,18-20H,16-17H2,1-4H3,(H,33,40).

What are the key properties of 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?

4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 561.65 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171481554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).