2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide

C31H32ClN5O5 — CID 135205645

About 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide

2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide (PubChem CID 135205645) has the molecular formula C31H32ClN5O5 and a molecular weight of 590.08 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide
• PubChem CID: 135205645
• Molecular Formula: C31H32ClN5O5
• Molecular Weight: 590.08 g/mol
• Exact Mass: 589.21
• IUPAC Name: 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide
• SMILES: COc1cn(C(C[C@H]2CCCCO2)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1C1=NOCC1
• InChI: InChI=1S/C31H32ClN5O5/c1-36-17-19-13-21(7-9-26(19)34-36)33-31(39)28(15-22-5-3-4-11-41-22)37-18-29(40-2)25(16-30(37)38)24-14-20(32)6-8-23(24)27-10-12-42-35-27/h6-9,13-14,16-18,22,28H,3-5,10-12,15H2,1-2H3,(H,33,39)/t22-,28?/m1/s1
• InChIKey: LNIZEAPOEAZWLH-WZOMIXFGSA-N
• XLogP: 5.33
• TPSA: 108.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.08
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide?

The IUPAC name of 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide (CID 135205645) is 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide.

What is the SMILES notation for 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide?

The canonical SMILES for 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide is COc1cn(C(C[C@H]2CCCCO2)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1C1=NOCC1.

What is the InChIKey of 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide?

The InChIKey is LNIZEAPOEAZWLH-WZOMIXFGSA-N. The full InChI is InChI=1S/C31H32ClN5O5/c1-36-17-19-13-21(7-9-26(19)34-36)33-31(39)28(15-22-5-3-4-11-41-22)37-18-29(40-2)25(16-30(37)38)24-14-20(32)6-8-23(24)27-10-12-42-35-27/h6-9,13-14,16-18,22,28H,3-5,10-12,15H2,1-2H3,(H,33,39)/t22-,28?/m1/s1.

What are the key properties of 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide?

2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide has a molecular weight of 590.08 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-3-[(2R)-oxan-2-yl]propanamide is sourced from PubChem (CID 135205645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).