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

C16H20FN5O2 — CID 124810012

IUPAC2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1Cc2ccnn2C[C@@H](Oc2ncccc2F)C1
InChIInChI=1S/C16H20FN5O2/c1-20(2)15(23)11-21-8-12-5-7-19-22(12)10-13(9-21)24-16-14(17)4-3-6-18-16/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1
InChIKeyUKCQKHJTPCUEGI-ZDUSSCGKSA-N
MW333.37 g/mol
LogP0.77
Rot. Bonds4

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

2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide (PubChem CID 124810012) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide
PubChem CID124810012
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1Cc2ccnn2C[C@@H](Oc2ncccc2F)C1
InChIInChI=1S/C16H20FN5O2/c1-20(2)15(23)11-21-8-12-5-7-19-22(12)10-13(9-21)24-16-14(17)4-3-6-18-16/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1
InChIKeyUKCQKHJTPCUEGI-ZDUSSCGKSA-N
XLogP0.77
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 75367646
(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
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CID 100642713
1-(6-Methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 75483665
2-(1H-pyrazol-1-yl)-1-(3-((4-(trifluoromethyl)pyridin-2-yl)oxy)pyrrolidin-1-yl)ethanone
CID 91625451
1-{4,4-Difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-YL}-2-(3-methyl-1H-pyrazol-1-YL)ethan-1-one
CID 124040310
1-{4,4-Difluoro-2-[(pyridin-3-yloxy)methyl]pyrrolidin-1-YL}-2-(1H-pyrazol-1-YL)ethan-1-one
CID 124040314
tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate
CID 69261553
5-Fluoro-2-[(1-methyl-1H-pyrazol-5-yl)methoxy]pyridine
CID 86684889
3-(4-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 166148023
N-[1-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]-3-pyridin-2-yloxypropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide (CID 124810012) is 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1Cc2ccnn2C[C@@H](Oc2ncccc2F)C1.
What is the InChIKey of 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide?
The InChIKey is UKCQKHJTPCUEGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-20(2)15(23)11-21-8-12-5-7-19-22(12)10-13(9-21)24-16-14(17)4-3-6-18-16/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide?
2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide has a molecular weight of 333.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S)-7-[(3-fluoro-2-pyridinyl)oxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 124810012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).