N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide

C17H24FN7O2 — CID 70726146

IUPACN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(c1ncc(F)c(N(C)C)n1)C2
InChIInChI=1S/C17H24FN7O2/c1-23(2)16-14(18)9-20-17(21-16)24-5-4-6-25-13(10-24)7-12(22-25)8-19-15(26)11-27-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,19,26)
InChIKeyMWBZSYJCJCGKSW-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.55
Rot. Bonds6

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

N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 70726146) has the molecular formula C17H24FN7O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
PubChem CID70726146
Molecular FormulaC17H24FN7O2
Molecular Weight377.42 g/mol
Exact Mass377.20
IUPAC NameN-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(c1ncc(F)c(N(C)C)n1)C2
InChIInChI=1S/C17H24FN7O2/c1-23(2)16-14(18)9-20-17(21-16)24-5-4-6-25-13(10-24)7-12(22-25)8-19-15(26)11-27-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,19,26)
InChIKeyMWBZSYJCJCGKSW-UHFFFAOYSA-N
XLogP0.55
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methylpyrimidin-4-amine
CID 70708303
N~4~-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}pyrimidine-2,4-diamine
CID 70714900
N,N-dimethyl-2-{[(6-methylpyrimidin-4-yl)amino]methyl}-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 70726969
N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-6-methylpyrimidin-4-amine
CID 70741596
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-6-methylpyrimidin-4-amine
CID 70754386
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-7-(methoxyacetyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56911476
N-{[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}acetamide
CID 70705659
N-({5-[(2-ethylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70705872
N-({5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70747840
N'-({5-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)-N,N-dimethylurea
CID 70754010
N-({5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)propanamide
CID 118768733
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of 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) is N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1cc2n(n1)CCCN(c1ncc(F)c(N(C)C)n1)C2.
What is the InChIKey of N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is MWBZSYJCJCGKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN7O2/c1-23(2)16-14(18)9-20-17(21-16)24-5-4-6-25-13(10-24)7-12(22-25)8-19-15(26)11-27-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,19,26).
What are the key properties of N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 377.42 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 70726146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).