4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

C22H24FN5O — CID 136667097

IUPAC4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC[C@H]3CCN(c4ccc(F)cc4)C3)nc2)n1
InChIInChI=1S/C22H24FN5O/c1-2-18-11-21(29)27-22(26-18)16-3-8-20(25-13-16)24-12-15-9-10-28(14-15)19-6-4-17(23)5-7-19/h3-8,11,13,15H,2,9-10,12,14H2,1H3,(H,24,25)(H,26,27,29)/t15-/m1/s1
InChIKeyLEKFHIXDBGSYIA-OAHLLOKOSA-N
MW393.47 g/mol
LogP3.47
Rot. Bonds6

About 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one

4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 136667097) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID136667097
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(NC[C@H]3CCN(c4ccc(F)cc4)C3)nc2)n1
InChIInChI=1S/C22H24FN5O/c1-2-18-11-21(29)27-22(26-18)16-3-8-20(25-13-16)24-12-15-9-10-28(14-15)19-6-4-17(23)5-7-19/h3-8,11,13,15H,2,9-10,12,14H2,1H3,(H,24,25)(H,26,27,29)/t15-/m1/s1
InChIKeyLEKFHIXDBGSYIA-OAHLLOKOSA-N
XLogP3.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[6-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137251167
2-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268747
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811
4-ethyl-2-[6-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264948
2-[6-[(2-cyclobutyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258186
2-[6-[(1-cyclopentylpyrazol-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137265053
2-[6-[(3,3-difluorocyclopentyl)amino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 167837262
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 137098040
4-ethyl-2-[6-[2-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136714200
2-[6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137272392
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 136667097) is 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(NC[C@H]3CCN(c4ccc(F)cc4)C3)nc2)n1.
What is the InChIKey of 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is LEKFHIXDBGSYIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-2-18-11-21(29)27-22(26-18)16-3-8-20(25-13-16)24-12-15-9-10-28(14-15)19-6-4-17(23)5-7-19/h3-8,11,13,15H,2,9-10,12,14H2,1H3,(H,24,25)(H,26,27,29)/t15-/m1/s1.
What are the key properties of 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 393.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136667097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).