N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide

C25H19ClFN5O3 — CID 166822816

IUPACN-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide
SMILESO=C1NC(c2cc(F)ccc2Cl)c2c(NC(=O)C3CCCO3)cc(-c3ccc4ncnn4c3)cc21
InChIInChI=1S/C25H19ClFN5O3/c26-18-5-4-15(27)10-16(18)23-22-17(24(33)31-23)8-14(13-3-6-21-28-12-29-32(21)11-13)9-19(22)30-25(34)20-2-1-7-35-20/h3-6,8-12,20,23H,1-2,7H2,(H,30,34)(H,31,33)
InChIKeyLHWMHIMEAVDXRU-UHFFFAOYSA-N
MW491.91 g/mol
LogP4.14
Rot. Bonds4

About N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide

N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide (PubChem CID 166822816) has the molecular formula C25H19ClFN5O3 and a molecular weight of 491.91 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide
PubChem CID166822816
Molecular FormulaC25H19ClFN5O3
Molecular Weight491.91 g/mol
Exact Mass491.12
IUPAC NameN-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide
SMILESO=C1NC(c2cc(F)ccc2Cl)c2c(NC(=O)C3CCCO3)cc(-c3ccc4ncnn4c3)cc21
InChIInChI=1S/C25H19ClFN5O3/c26-18-5-4-15(27)10-16(18)23-22-17(24(33)31-23)8-14(13-3-6-21-28-12-29-32(21)11-13)9-19(22)30-25(34)20-2-1-7-35-20/h3-6,8-12,20,23H,1-2,7H2,(H,30,34)(H,31,33)
InChIKeyLHWMHIMEAVDXRU-UHFFFAOYSA-N
XLogP4.14
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.91
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]benzamide
CID 166822788
(3S)-N-[(3R)-3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]piperidine-3-carboxamide
CID 176619920
(3R,4S)-N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]-3,4-dihydroxypyrrolidine-1-carboxamide
CID 176619217
trans-(1S,3S)-N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 176620001
(3S)-3-(2-chloro-5-fluorophenyl)-4-[(1R)-1-hydroxyethyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-1-one
CID 176618951
3-(2-chloro-5-fluorophenyl)-4-[[1-(2-hydroxyethyl)indazol-3-yl]amino]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-1-one
CID 166822091
3-(2-chloro-5-fluorophenyl)-4-[(2-oxopiperidin-1-yl)methyl]-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-1-one
CID 176619981
N-[6-bromo-3-(2-chloro-5-fluorophenyl)-1-oxo-2,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
CID 166821574
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-(6-oxo-1-propan-2-yl-3-pyridinyl)-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176620082
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176620252
N-[(3R)-3-(2-chloro-5-fluorophenyl)-6-imidazo[1,2-b]pyridazin-6-yl-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166821763
4-[1-(2-chloro-5-fluorophenyl)-7-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-3-oxo-1,2-dihydroisoindol-5-yl]-N-methylpyrazole-1-carboxamide
CID 166821830

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide (CID 166822816) is N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide is O=C1NC(c2cc(F)ccc2Cl)c2c(NC(=O)C3CCCO3)cc(-c3ccc4ncnn4c3)cc21.
What is the InChIKey of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide?
The InChIKey is LHWMHIMEAVDXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O3/c26-18-5-4-15(27)10-16(18)23-22-17(24(33)31-23)8-14(13-3-6-21-28-12-29-32(21)11-13)9-19(22)30-25(34)20-2-1-7-35-20/h3-6,8-12,20,23H,1-2,7H2,(H,30,34)(H,31,33).
What are the key properties of N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide?
N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide has a molecular weight of 491.91 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluorophenyl)-1-oxo-6-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydroisoindol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 166822816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).