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

C28H24ClF2N5O4 — CID 135205796

IUPAC2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
SMILESCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)F)on2)cc1=O
InChIInChI=1S/C28H24ClF2N5O4/c1-4-23(28(38)32-17-6-8-21-15(9-17)13-35(2)33-21)36-14-25(39-3)20(11-26(36)37)19-10-16(29)5-7-18(19)22-12-24(27(30)31)40-34-22/h5-14,23,27H,4H2,1-3H3,(H,32,38)
InChIKeyYPTNTTHZSPASJM-UHFFFAOYSA-N
MW567.98 g/mol
LogP6.25
Rot. Bonds8

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

2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide (PubChem CID 135205796) has the molecular formula C28H24ClF2N5O4 and a molecular weight of 567.98 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
PubChem CID135205796
Molecular FormulaC28H24ClF2N5O4
Molecular Weight567.98 g/mol
Exact Mass567.15
IUPAC Name2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
SMILESCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)F)on2)cc1=O
InChIInChI=1S/C28H24ClF2N5O4/c1-4-23(28(38)32-17-6-8-21-15(9-17)13-35(2)33-21)36-14-25(39-3)20(11-26(36)37)19-10-16(29)5-7-18(19)22-12-24(27(30)31)40-34-22/h5-14,23,27H,4H2,1-3H3,(H,32,38)
InChIKeyYPTNTTHZSPASJM-UHFFFAOYSA-N
XLogP6.25
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.98
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?
The IUPAC name of 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide (CID 135205796) is 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?
The canonical SMILES for 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide is CCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)F)on2)cc1=O.
What is the InChIKey of 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?
The InChIKey is YPTNTTHZSPASJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF2N5O4/c1-4-23(28(38)32-17-6-8-21-15(9-17)13-35(2)33-21)36-14-25(39-3)20(11-26(36)37)19-10-16(29)5-7-18(19)22-12-24(27(30)31)40-34-22/h5-14,23,27H,4H2,1-3H3,(H,32,38).
What are the key properties of 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide?
2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide has a molecular weight of 567.98 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 135205796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).