5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane

C23H27F2N5O2 — CID 169200353

IUPAC5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane
SMILESCC.O=c1[nH]cc(-c2ccc(OC(F)F)cc2)cc1Nc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C21H21F2N5O2.C2H6/c22-20(23)30-16-6-4-14(5-7-16)15-12-17(19(29)25-13-15)26-18-8-9-24-21(27-18)28-10-2-1-3-11-28;1-2/h4-9,12-13,20H,1-3,10-11H2,(H,25,29)(H,24,26,27);1-2H3
InChIKeySKOWRHINIRRTLR-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.19
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane

5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane (PubChem CID 169200353) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane
PubChem CID169200353
Molecular FormulaC23H27F2N5O2
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane
SMILESCC.O=c1[nH]cc(-c2ccc(OC(F)F)cc2)cc1Nc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C21H21F2N5O2.C2H6/c22-20(23)30-16-6-4-14(5-7-16)15-12-17(19(29)25-13-15)26-18-8-9-24-21(27-18)28-10-2-1-3-11-28;1-2/h4-9,12-13,20H,1-3,10-11H2,(H,25,29)(H,24,26,27);1-2H3
InChIKeySKOWRHINIRRTLR-UHFFFAOYSA-N
XLogP5.19
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane with MolForge

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Related Compounds

5-(4-methoxyphenyl)-3-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyridin-2-one
CID 176801067
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-fluoropiperidin-1-yl)pyrimidin-4-amine;ethane
CID 169200961
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 176800995
N-[5-[4-(difluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-amine
CID 176801044
3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one
CID 169200496
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 171576676
4-N-[5-[4-(difluoromethoxy)phenyl]-2-fluoro-3-pyridinyl]-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine;ethane
CID 169200659
ethane;N-[5-[4-(fluoromethoxy)phenyl]-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 169200687
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
CID 169200912
N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884701
2-(azepan-1-yl)-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 112901677

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane (CID 169200353) is 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane is CC.O=c1[nH]cc(-c2ccc(OC(F)F)cc2)cc1Nc1ccnc(N2CCCCC2)n1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane?
The InChIKey is SKOWRHINIRRTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2.C2H6/c22-20(23)30-16-6-4-14(5-7-16)15-12-17(19(29)25-13-15)26-18-8-9-24-21(27-18)28-10-2-1-3-11-28;1-2/h4-9,12-13,20H,1-3,10-11H2,(H,25,29)(H,24,26,27);1-2H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane?
5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane has a molecular weight of 443.50 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]-1H-pyridin-2-one;ethane is sourced from PubChem (CID 169200353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).