(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

C18H18N4O — CID 137405827

IUPAC(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESCc1cnn2c1[C@H](O)[C@H](C1c3ccccc3-c3cncn31)CC2
InChIInChI=1S/C18H18N4O/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/h2-5,8-10,14,17-18,23H,6-7H2,1H3/t14-,17?,18+/m0/s1
InChIKeyYJWXRSFAQASNLZ-HXFVUSARSA-N
MW306.37 g/mol
LogP2.71
Rot. Bonds1

About (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (PubChem CID 137405827) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
PubChem CID137405827
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESCc1cnn2c1[C@H](O)[C@H](C1c3ccccc3-c3cncn31)CC2
InChIInChI=1S/C18H18N4O/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/h2-5,8-10,14,17-18,23H,6-7H2,1H3/t14-,17?,18+/m0/s1
InChIKeyYJWXRSFAQASNLZ-HXFVUSARSA-N
XLogP2.71
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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)-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
(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
(3S,4S)-4-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methylpiperidin-3-ol
CID 137405937
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
2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129296180
5-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 129282520

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of (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) is (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.
What is the SMILES notation for (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is Cc1cnn2c1[C@H](O)[C@H](C1c3ccccc3-c3cncn31)CC2.
What is the InChIKey of (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is YJWXRSFAQASNLZ-HXFVUSARSA-N. The full InChI is InChI=1S/C18H18N4O/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/h2-5,8-10,14,17-18,23H,6-7H2,1H3/t14-,17?,18+/m0/s1.
What are the key properties of (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol has a molecular weight of 306.37 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 137405827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).