[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

C20H20ClF2N3O3 — CID 133435229

IUPAC[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC2CCOC2c2ccc(F)c(F)c2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H20ClF2N3O3/c21-14-9-13(20(27)26-4-7-28-8-5-26)11-24-19(14)25-17-3-6-29-18(17)12-1-2-15(22)16(23)10-12/h1-2,9-11,17-18H,3-8H2,(H,24,25)
InChIKeyMKLYMQJDHFDLDB-UHFFFAOYSA-N
MW423.85 g/mol
LogP3.43
Rot. Bonds4

About [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133435229) has the molecular formula C20H20ClF2N3O3 and a molecular weight of 423.85 g/mol. Its IUPAC name is [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133435229
Molecular FormulaC20H20ClF2N3O3
Molecular Weight423.85 g/mol
Exact Mass423.12
IUPAC Name[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NC2CCOC2c2ccc(F)c(F)c2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C20H20ClF2N3O3/c21-14-9-13(20(27)26-4-7-28-8-5-26)11-24-19(14)25-17-3-6-29-18(17)12-1-2-15(22)16(23)10-12/h1-2,9-11,17-18H,3-8H2,(H,24,25)
InChIKeyMKLYMQJDHFDLDB-UHFFFAOYSA-N
XLogP3.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[(4-chloro-2,3-dihydro-1H-inden-1-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273440
[5-chloro-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 127741686
[5-chloro-6-[[3-(trifluoromethyl)cyclohexyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133333851
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273342
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133277623
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133305166
[5-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273417
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133435229) is [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NC2CCOC2c2ccc(F)c(F)c2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is MKLYMQJDHFDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N3O3/c21-14-9-13(20(27)26-4-7-28-8-5-26)11-24-19(14)25-17-3-6-29-18(17)12-1-2-15(22)16(23)10-12/h1-2,9-11,17-18H,3-8H2,(H,24,25).
What are the key properties of [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 423.85 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133435229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).