(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C19H22N4O — CID 97471851

IUPAC(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCc1cnc(N2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)nc1
InChIInChI=1S/C19H22N4O/c1-2-14-10-21-18(22-11-14)23-12-16(15-6-4-3-5-7-15)19(13-23)8-9-20-17(19)24/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,20,24)/t16-,19+/m0/s1
InChIKeyCSPOPOVJNNRICZ-QFBILLFUSA-N
MW322.41 g/mol
LogP2.15
Rot. Bonds3

About (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97471851) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97471851
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCc1cnc(N2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)nc1
InChIInChI=1S/C19H22N4O/c1-2-14-10-21-18(22-11-14)23-12-16(15-6-4-3-5-7-15)19(13-23)8-9-20-17(19)24/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,20,24)/t16-,19+/m0/s1
InChIKeyCSPOPOVJNNRICZ-QFBILLFUSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124815931
(5S,9S)-7-(5-fluoropyrimidin-2-yl)-9-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124831163
tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131652109
1'-(5-ethylpyrimidin-2-yl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 97415799
(5S,9S)-9-phenyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 127023256
(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97392354
(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97392356
(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-methyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155852095
1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 97452598
8-(5-ethylpyrimidin-2-yl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155838844
(3aS,6aR)-2-(5-ethylpyrimidin-2-yl)-5-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124835890

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 97471851) is (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is CCc1cnc(N2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)nc1.
What is the InChIKey of (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is CSPOPOVJNNRICZ-QFBILLFUSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-14-10-21-18(22-11-14)23-12-16(15-6-4-3-5-7-15)19(13-23)8-9-20-17(19)24/h3-7,10-11,16H,2,8-9,12-13H2,1H3,(H,20,24)/t16-,19+/m0/s1.
What are the key properties of (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 322.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97471851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).