6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one

C20H16FN5O — CID 162767956

IUPAC6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCC(Nc1ncnc2ncc(-c3ccc(F)cc3)cc12)c1cccc(=O)[nH]1
InChIInChI=1S/C20H16FN5O/c1-12(17-3-2-4-18(27)26-17)25-20-16-9-14(10-22-19(16)23-11-24-20)13-5-7-15(21)8-6-13/h2-12H,1H3,(H,26,27)(H,22,23,24,25)
InChIKeyIAFKENMHDAQHLA-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.69
Rot. Bonds4

About 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one

6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (PubChem CID 162767956) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
PubChem CID162767956
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one
SMILESCC(Nc1ncnc2ncc(-c3ccc(F)cc3)cc12)c1cccc(=O)[nH]1
InChIInChI=1S/C20H16FN5O/c1-12(17-3-2-4-18(27)26-17)25-20-16-9-14(10-22-19(16)23-11-24-20)13-5-7-15(21)8-6-13/h2-12H,1H3,(H,26,27)(H,22,23,24,25)
InChIKeyIAFKENMHDAQHLA-UHFFFAOYSA-N
XLogP3.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one with MolForge

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Related Compounds

2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 155339418
6-fluoro-3-(3-fluorophenyl)-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]chromen-4-one
CID 53235314
6-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 155339420
N-[1-[6-fluoro-4-(3-fluorophenyl)quinolin-3-yl]ethyl]-7H-purin-6-amine
CID 67511145
6-(4-fluorophenyl)-4-[1-(6-methyl-3-pyridinyl)ethylamino]quinazolin-8-ol
CID 155728488
N-[2-chloro-5-[4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164556421
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133305144
4-[4-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 56649641
6-(4-fluorophenyl)-4-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethylamino]quinazoline-8-sulfonamide
CID 175224338
6-(4-fluorophenyl)-8-methoxy-N-[(1R)-1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethyl]quinazolin-4-amine;formic acid
CID 175708641
6-[6-chloro-5-(methylsulfanylamino)-3-pyridinyl]-N-[1-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 164556435
6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
CID 169093085

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The IUPAC name of 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one (CID 162767956) is 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is CC(Nc1ncnc2ncc(-c3ccc(F)cc3)cc12)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
The InChIKey is IAFKENMHDAQHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c1-12(17-3-2-4-18(27)26-17)25-20-16-9-14(10-22-19(16)23-11-24-20)13-5-7-15(21)8-6-13/h2-12H,1H3,(H,26,27)(H,22,23,24,25).
What are the key properties of 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one?
6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one has a molecular weight of 361.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 162767956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).