(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

C18H15N5O — CID 129283189

IUPAC(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
SMILESN#Cc1cnn2c1[C@@H](O)[C@H]([C@H]1c3ccccc3-c3cncn31)CC2
InChIInChI=1S/C18H15N5O/c19-7-11-8-21-23-6-5-14(18(24)16(11)23)17-13-4-2-1-3-12(13)15-9-20-10-22(15)17/h1-4,8-10,14,17-18,24H,5-6H2/t14-,17+,18-/m0/s1
InChIKeyJODFBJLZFRITPL-QGTPRVQTSA-N
MW317.35 g/mol
LogP2.27
Rot. Bonds1

About (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

(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 (PubChem CID 129283189) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129283189
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name(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
SMILESN#Cc1cnn2c1[C@@H](O)[C@H]([C@H]1c3ccccc3-c3cncn31)CC2
InChIInChI=1S/C18H15N5O/c19-7-11-8-21-23-6-5-14(18(24)16(11)23)17-13-4-2-1-3-12(13)15-9-20-10-22(15)17/h1-4,8-10,14,17-18,24H,5-6H2/t14-,17+,18-/m0/s1
InChIKeyJODFBJLZFRITPL-QGTPRVQTSA-N
XLogP2.27
TPSA79.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol
CID 129282432
(4S,5S)-2-amino-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129282959
(5S,6S)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R,6S)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S,6S)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S,6R)-5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R,6S)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R,6R)-5-hydroxy-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 162241832
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(7S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 175796654
(7S,8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7S,8R)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7S,8S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7R,8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7R,8R)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7R,8S)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile;(7R,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 159189705
(7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 129282883
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
(4S,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-ol
CID 137405998
(4S,5S)-2-(fluoromethyl)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129283251

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N#Cc1cnn2c1[C@@H](O)[C@H]([C@H]1c3ccccc3-c3cncn31)CC2.
What is the InChIKey of (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?
The InChIKey is JODFBJLZFRITPL-QGTPRVQTSA-N. The full InChI is InChI=1S/C18H15N5O/c19-7-11-8-21-23-6-5-14(18(24)16(11)23)17-13-4-2-1-3-12(13)15-9-20-10-22(15)17/h1-4,8-10,14,17-18,24H,5-6H2/t14-,17+,18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 317.35 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129283189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).