N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide

C24H24F3N5O4 — CID 162567391

IUPACN-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide
SMILESCCC(F)C(F)(F)COc1cnc(C(C)N2Cc3c(ccnc3NC(=O)c3cnco3)C2=O)cc1C
InChIInChI=1S/C24H24F3N5O4/c1-4-20(25)24(26,27)11-35-18-9-30-17(7-13(18)2)14(3)32-10-16-15(23(32)34)5-6-29-21(16)31-22(33)19-8-28-12-36-19/h5-9,12,14,20H,4,10-11H2,1-3H3,(H,29,31,33)
InChIKeyVKSCMPAMXGSHRR-UHFFFAOYSA-N
MW503.48 g/mol
LogP4.50
Rot. Bonds9

About N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide

N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide (PubChem CID 162567391) has the molecular formula C24H24F3N5O4 and a molecular weight of 503.48 g/mol. Its IUPAC name is N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide
PubChem CID162567391
Molecular FormulaC24H24F3N5O4
Molecular Weight503.48 g/mol
Exact Mass503.18
IUPAC NameN-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide
SMILESCCC(F)C(F)(F)COc1cnc(C(C)N2Cc3c(ccnc3NC(=O)c3cnco3)C2=O)cc1C
InChIInChI=1S/C24H24F3N5O4/c1-4-20(25)24(26,27)11-35-18-9-30-17(7-13(18)2)14(3)32-10-16-15(23(32)34)5-6-29-21(16)31-22(33)19-8-28-12-36-19/h5-9,12,14,20H,4,10-11H2,1-3H3,(H,29,31,33)
InChIKeyVKSCMPAMXGSHRR-UHFFFAOYSA-N
XLogP4.50
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide (CID 162567391) is N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide is CCC(F)C(F)(F)COc1cnc(C(C)N2Cc3c(ccnc3NC(=O)c3cnco3)C2=O)cc1C.
What is the InChIKey of N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is VKSCMPAMXGSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4/c1-4-20(25)24(26,27)11-35-18-9-30-17(7-13(18)2)14(3)32-10-16-15(23(32)34)5-6-29-21(16)31-22(33)19-8-28-12-36-19/h5-9,12,14,20H,4,10-11H2,1-3H3,(H,29,31,33).
What are the key properties of N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide?
N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-methyl-5-(2,2,3-trifluoropentoxy)-2-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 162567391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).