1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one

C22H28N4O — CID 51593709

IUPAC1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CC[C@@H](c2nc(C3CC3)ncc2-c2ccncc2)C1
InChIInChI=1S/C22H28N4O/c1-3-15(4-2)22(27)26-12-9-18(14-26)20-19(16-7-10-23-11-8-16)13-24-21(25-20)17-5-6-17/h7-8,10-11,13,15,17-18H,3-6,9,12,14H2,1-2H3/t18-/m1/s1
InChIKeyYZHLJSYXUALPBW-GOSISDBHSA-N
MW364.49 g/mol
LogP4.17
Rot. Bonds6

About 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one

1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one (PubChem CID 51593709) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
PubChem CID51593709
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CC[C@@H](c2nc(C3CC3)ncc2-c2ccncc2)C1
InChIInChI=1S/C22H28N4O/c1-3-15(4-2)22(27)26-12-9-18(14-26)20-19(16-7-10-23-11-8-16)13-24-21(25-20)17-5-6-17/h7-8,10-11,13,15,17-18H,3-6,9,12,14H2,1-2H3/t18-/m1/s1
InChIKeyYZHLJSYXUALPBW-GOSISDBHSA-N
XLogP4.17
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-1-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 45173372
2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 110219956
2-methyl-1-[3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 46965163
2-methyl-1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51584074
1-[4-(2-tert-butyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 46965171
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965192
1-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 46965194
1-[(3S)-3-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 51583946
2-(4-methoxyphenyl)-1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 16669839
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 46954195
cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one (CID 51593709) is 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CC[C@@H](c2nc(C3CC3)ncc2-c2ccncc2)C1.
What is the InChIKey of 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one?
The InChIKey is YZHLJSYXUALPBW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N4O/c1-3-15(4-2)22(27)26-12-9-18(14-26)20-19(16-7-10-23-11-8-16)13-24-21(25-20)17-5-6-17/h7-8,10-11,13,15,17-18H,3-6,9,12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one?
1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one has a molecular weight of 364.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-cyclopropyl-5-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 51593709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).