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

C15H19FN6O2 — CID 133141723

IUPAC2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC1CN(c2ncc(F)cn2)Cc2ccnn2C1
InChIInChI=1S/C15H19FN6O2/c1-20(2)14(23)10-24-13-8-21(15-17-5-11(16)6-18-15)7-12-3-4-19-22(12)9-13/h3-6,13H,7-10H2,1-2H3
InChIKeyVNYSMMWSUVCGJJ-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.31
Rot. Bonds4

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

2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide (PubChem CID 133141723) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide
PubChem CID133141723
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC1CN(c2ncc(F)cn2)Cc2ccnn2C1
InChIInChI=1S/C15H19FN6O2/c1-20(2)14(23)10-24-13-8-21(15-17-5-11(16)6-18-15)7-12-3-4-19-22(12)9-13/h3-6,13H,7-10H2,1-2H3
InChIKeyVNYSMMWSUVCGJJ-UHFFFAOYSA-N
XLogP0.31
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(1H-pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 72882586
2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide
CID 134076165
N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
CID 70726146
(2S)-2-(pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 97197140
(2R)-2-(pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 97197141
2-[[(7S)-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785827
2-[[(7R)-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124785828
2-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 133141297
2-[[5-(5-Fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 133142807
5-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 134078720
2-Cyclopentyloxy-1-[7-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155839461
2-Ethoxy-1-[7-[2-(pyrimidin-2-ylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155840033

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide (CID 133141723) is 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)COC1CN(c2ncc(F)cn2)Cc2ccnn2C1.
What is the InChIKey of 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is VNYSMMWSUVCGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-20(2)14(23)10-24-13-8-21(15-17-5-11(16)6-18-15)7-12-3-4-19-22(12)9-13/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide?
2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 334.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 133141723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).