(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

C17H17N5O — CID 129282959

IUPAC(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
SMILESNc1cc2n(n1)CC[C@@H]([C@H]1c3ccccc3-c3cncn31)[C@@H]2O
InChIInChI=1S/C17H17N5O/c18-15-7-13-17(23)12(5-6-22(13)20-15)16-11-4-2-1-3-10(11)14-8-19-9-21(14)16/h1-4,7-9,12,16-17,23H,5-6H2,(H2,18,20)/t12-,16+,17-/m0/s1
InChIKeyYOYDZCAZYHFEOZ-VUCTXSBTSA-N
MW307.36 g/mol
LogP1.99
Rot. Bonds1

About (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

(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 (PubChem CID 129282959) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID129282959
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(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
SMILESNc1cc2n(n1)CC[C@@H]([C@H]1c3ccccc3-c3cncn31)[C@@H]2O
InChIInChI=1S/C17H17N5O/c18-15-7-13-17(23)12(5-6-22(13)20-15)16-11-4-2-1-3-10(11)14-8-19-9-21(14)16/h1-4,7-9,12,16-17,23H,5-6H2,(H2,18,20)/t12-,16+,17-/m0/s1
InChIKeyYOYDZCAZYHFEOZ-VUCTXSBTSA-N
XLogP1.99
TPSA81.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129296180
(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
5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol
CID 129282432
(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
(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
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
(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
(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
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796673
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Nc1cc2n(n1)CC[C@@H]([C@H]1c3ccccc3-c3cncn31)[C@@H]2O.
What is the InChIKey of (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?
The InChIKey is YOYDZCAZYHFEOZ-VUCTXSBTSA-N. The full InChI is InChI=1S/C17H17N5O/c18-15-7-13-17(23)12(5-6-22(13)20-15)16-11-4-2-1-3-10(11)14-8-19-9-21(14)16/h1-4,7-9,12,16-17,23H,5-6H2,(H2,18,20)/t12-,16+,17-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 307.36 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 129282959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).