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

C28H26ClN5O5 — CID 135206020

IUPAC2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
SMILESCOCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2ccon2)cc1=O
InChIInChI=1S/C28H26ClN5O5/c1-33-15-17-12-19(5-7-23(17)31-33)30-28(36)25(9-10-37-2)34-16-26(38-3)22(14-27(34)35)21-13-18(29)4-6-20(21)24-8-11-39-32-24/h4-8,11-16,25H,9-10H2,1-3H3,(H,30,36)
InChIKeyMQPMEUJFEVBLRJ-UHFFFAOYSA-N
MW548.00 g/mol
LogP4.94
Rot. Bonds9

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

2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (PubChem CID 135206020) has the molecular formula C28H26ClN5O5 and a molecular weight of 548.00 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
PubChem CID135206020
Molecular FormulaC28H26ClN5O5
Molecular Weight548.00 g/mol
Exact Mass547.16
IUPAC Name2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
SMILESCOCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2ccon2)cc1=O
InChIInChI=1S/C28H26ClN5O5/c1-33-15-17-12-19(5-7-23(17)31-33)30-28(36)25(9-10-37-2)34-16-26(38-3)22(14-27(34)35)21-13-18(29)4-6-20(21)24-8-11-39-32-24/h4-8,11-16,25H,9-10H2,1-3H3,(H,30,36)
InChIKeyMQPMEUJFEVBLRJ-UHFFFAOYSA-N
XLogP4.94
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.00
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide with MolForge

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Related Compounds

US10421742, Example 12
CID 135204747
US10421742, Example 176
CID 135205796
US10421742, Example 30
CID 135205971
US10421742, Example 25
CID 135206017
US10421742, Example 83
CID 135205398
US10421742, Example 75
CID 135205440
US10421742, Example 98
CID 135205464
US10421742, Example 76
CID 135205552
US10421742, Example 198
CID 135205719
US10421742, Example 87
CID 135205794
2-(4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl)-3-(1-cyclopropyl-1H-pyrazol-3-yl)-N-(2-methyl-2H-indazol-5-yl)propanamide
CID 134323514
4-(tert-butoxy)-2-(4-(5-chloro-2-propionylphenyl)-5-methoxy-2-oxopyridin-1(2H)-yl)-N-(2-methyl-2H-carbazol-5-yl)butanamide
CID 134323846

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The IUPAC name of 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (CID 135206020) is 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The canonical SMILES for 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2ccon2)cc1=O.
What is the InChIKey of 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The InChIKey is MQPMEUJFEVBLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O5/c1-33-15-17-12-19(5-7-23(17)31-33)30-28(36)25(9-10-37-2)34-16-26(38-3)22(14-27(34)35)21-13-18(29)4-6-20(21)24-8-11-39-32-24/h4-8,11-16,25H,9-10H2,1-3H3,(H,30,36).
What are the key properties of 2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide has a molecular weight of 548.00 g/mol, XLogP of 4.94, 9 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-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 135206020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).