N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide

C25H27F3N6O4 — CID 129212888

IUPACN-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cc(-c2cc(C)c3c(n2)CCOCCN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC
InChIInChI=1S/C25H27F3N6O4/c1-4-29-22(35)18-10-16(11-30-23(18)37-3)20-9-15(2)21-19(32-20)5-7-38-8-6-34(24(21)36)17-12-31-33(13-17)14-25(26,27)28/h9-13H,4-8,14H2,1-3H3,(H,29,35)
InChIKeyDUUGTRCKOUUPBP-UHFFFAOYSA-N
MW532.52 g/mol
LogP3.19
Rot. Bonds6

About N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide

N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide (PubChem CID 129212888) has the molecular formula C25H27F3N6O4 and a molecular weight of 532.52 g/mol. Its IUPAC name is N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide
PubChem CID129212888
Molecular FormulaC25H27F3N6O4
Molecular Weight532.52 g/mol
Exact Mass532.20
IUPAC NameN-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1cc(-c2cc(C)c3c(n2)CCOCCN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC
InChIInChI=1S/C25H27F3N6O4/c1-4-29-22(35)18-10-16(11-30-23(18)37-3)20-9-15(2)21-19(32-20)5-7-38-8-6-34(24(21)36)17-12-31-33(13-17)14-25(26,27)28/h9-13H,4-8,14H2,1-3H3,(H,29,35)
InChIKeyDUUGTRCKOUUPBP-UHFFFAOYSA-N
XLogP3.19
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(7S)-4-(5,6-dimethoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide
CID 134278122
5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57400556
4-[[(2S)-1-cyclopropyl-3-hydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 155550462
2-(5,6-dimethoxypyridin-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327629
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 66743362
2-(5,6-Dimethoxy-3-pyridinyl)-7,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 66743443
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxypyridin-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68044907
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045063
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045070
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045179
PI3Kgamma inhibitor 2
CID 68045182
1-[(5-fluoro-2-methoxy-3-pyridyl)methyl]-N-(2-methoxyethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
CID 72792766

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide (CID 129212888) is N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide is CCNC(=O)c1cc(-c2cc(C)c3c(n2)CCOCCN(c2cnn(CC(F)(F)F)c2)C3=O)cnc1OC.
What is the InChIKey of N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide?
The InChIKey is DUUGTRCKOUUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O4/c1-4-29-22(35)18-10-16(11-30-23(18)37-3)20-9-15(2)21-19(32-20)5-7-38-8-6-34(24(21)36)17-12-31-33(13-17)14-25(26,27)28/h9-13H,4-8,14H2,1-3H3,(H,29,35).
What are the key properties of N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide?
N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide has a molecular weight of 532.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7,8,10,11-tetrahydropyrido[3,2-f][1,4]oxazonin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129212888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).