2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

C18H17FN4O — CID 129296180

IUPAC2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESOC1c2cc(CF)nn2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C18H17FN4O/c19-8-11-7-15-18(24)14(5-6-23(15)21-11)17-13-4-2-1-3-12(13)16-9-20-10-22(16)17/h1-4,7,9-10,14,17-18,24H,5-6,8H2
InChIKeyNEDPYXVFODSGAY-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.87
Rot. Bonds2

About 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (PubChem CID 129296180) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
PubChem CID129296180
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESOC1c2cc(CF)nn2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C18H17FN4O/c19-8-11-7-15-18(24)14(5-6-23(15)21-11)17-13-4-2-1-3-12(13)16-9-20-10-22(16)17/h1-4,7,9-10,14,17-18,24H,5-6,8H2
InChIKeyNEDPYXVFODSGAY-UHFFFAOYSA-N
XLogP2.87
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
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
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2,2,2-trifluoroethyl)piperidin-3-ol
CID 129282454
(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 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (CID 129296180) is 2-(fluoromethyl)-5-(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 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is OC1c2cc(CF)nn2CCC1C1c2ccccc2-c2cncn21.
What is the InChIKey of 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is NEDPYXVFODSGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-8-11-7-15-18(24)14(5-6-23(15)21-11)17-13-4-2-1-3-12(13)16-9-20-10-22(16)17/h1-4,7,9-10,14,17-18,24H,5-6,8H2.
What are the key properties of 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol has a molecular weight of 324.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 129296180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).