(5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

C18H16N4O — CID 145337730

IUPAC(5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
SMILESCc1cnn2c1C(=O)[C@H]([C@H]1c3ccccc3-c3cncn31)CC2
InChIInChI=1S/C18H16N4O/c1-11-8-20-22-7-6-14(18(23)16(11)22)17-13-5-3-2-4-12(13)15-9-19-10-21(15)17/h2-5,8-10,14,17H,6-7H2,1H3/t14-,17+/m0/s1
InChIKeyPXXZSGPJRFFDNL-WMLDXEAASA-N
MW304.35 g/mol
LogP2.86
Rot. Bonds1

About (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

(5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (PubChem CID 145337730) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

Compound Name(5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
PubChem CID145337730
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
SMILESCc1cnn2c1C(=O)[C@H]([C@H]1c3ccccc3-c3cncn31)CC2
InChIInChI=1S/C18H16N4O/c1-11-8-20-22-7-6-14(18(23)16(11)22)17-13-5-3-2-4-12(13)15-9-19-10-21(15)17/h2-5,8-10,14,17H,6-7H2,1H3/t14-,17+/m0/s1
InChIKeyPXXZSGPJRFFDNL-WMLDXEAASA-N
XLogP2.86
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 137405827
(5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2-methyl-6,7-dihydro-5H-indazol-4-one
CID 163439646
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
4-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethyloxolan-3-one
CID 129282950
(4S,5S)-4-hydroxy-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile
CID 129283189
(4R,5R)-4-hydroxy-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile
CID 129283718
6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide
CID 129296330
4-(5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-sulfonamide
CID 137374322
1-[(3R,4R)-3-hydroxy-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]ethanone
CID 129296462
1-[4-hydroxy-3-(5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]ethanone
CID 129282717
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carbonitrile
CID 137374490

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The IUPAC name of (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (CID 145337730) is (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.
What is the SMILES notation for (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The canonical SMILES for (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is Cc1cnn2c1C(=O)[C@H]([C@H]1c3ccccc3-c3cncn31)CC2.
What is the InChIKey of (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The InChIKey is PXXZSGPJRFFDNL-WMLDXEAASA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-8-20-22-7-6-14(18(23)16(11)22)17-13-5-3-2-4-12(13)15-9-19-10-21(15)17/h2-5,8-10,14,17H,6-7H2,1H3/t14-,17+/m0/s1.
What are the key properties of (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
(5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one has a molecular weight of 304.35 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 145337730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).