[5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol

C19H19FN4O — CID 91828368

IUPAC[5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cc2n(n1)CCCN(c1ccncc1F)C2
InChIInChI=1S/C19H19FN4O/c20-16-12-21-8-7-18(16)23-9-4-10-24-15(13-23)11-17(22-24)19(25)14-5-2-1-3-6-14/h1-3,5-8,11-12,19,25H,4,9-10,13H2
InChIKeyXUOCELDKYVBELE-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.91
Rot. Bonds3

About [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol

[5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol (PubChem CID 91828368) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol
PubChem CID91828368
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name[5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1cc2n(n1)CCCN(c1ccncc1F)C2
InChIInChI=1S/C19H19FN4O/c20-16-12-21-8-7-18(16)23-9-4-10-24-15(13-23)11-17(22-24)19(25)14-5-2-1-3-6-14/h1-3,5-8,11-12,19,25H,4,9-10,13H2
InChIKeyXUOCELDKYVBELE-UHFFFAOYSA-N
XLogP2.91
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol with MolForge

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Related Compounds

3-[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
CID 91841528
(R)-[5-[(5-chlorothiophen-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol
CID 99978014
N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118780131
N-[[5-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118790699
[5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 91795425
(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99977570
1-[5-(2,2-diphenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 90653195
[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91784175
(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974341
(1R)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974340
[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 91771840
4-(3-fluoro-4-pyridinyl)morpholine
CID 91005494

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol?
The IUPAC name of [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol (CID 91828368) is [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol.
What is the SMILES notation for [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol?
The canonical SMILES for [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol is OC(c1ccccc1)c1cc2n(n1)CCCN(c1ccncc1F)C2.
What is the InChIKey of [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol?
The InChIKey is XUOCELDKYVBELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-12-21-8-7-18(16)23-9-4-10-24-15(13-23)11-17(22-24)19(25)14-5-2-1-3-6-14/h1-3,5-8,11-12,19,25H,4,9-10,13H2.
What are the key properties of [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol?
[5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol has a molecular weight of 338.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoro-4-pyridinyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol is sourced from PubChem (CID 91828368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).