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

C18H17FN4O — CID 129282647

IUPAC(4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESO[C@H]1c2cc(CF)nn2CC[C@@H]1[C@@H]1c2ccccc2-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/t14-,17+,18-/m1/s1
InChIKeyNEDPYXVFODSGAY-FHLIZLRMSA-N
MW324.36 g/mol
LogP2.87
Rot. Bonds2

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

(4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (PubChem CID 129282647) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is (4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name(4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
PubChem CID129282647
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name(4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESO[C@H]1c2cc(CF)nn2CC[C@@H]1[C@@H]1c2ccccc2-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/t14-,17+,18-/m1/s1
InChIKeyNEDPYXVFODSGAY-FHLIZLRMSA-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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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of (4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (CID 129282647) is (4R,5R)-2-(fluoromethyl)-5-[(5R)-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 (4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for (4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is O[C@H]1c2cc(CF)nn2CC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is NEDPYXVFODSGAY-FHLIZLRMSA-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/t14-,17+,18-/m1/s1.
What are the key properties of (4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
(4R,5R)-2-(fluoromethyl)-5-[(5R)-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 (4R,5R)-2-(fluoromethyl)-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 129282647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).