N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide

C17H24N6O2 — CID 134073699

IUPACN,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
SMILESCc1cnc(N2Cc3ccnn3CC(COCC(=O)N(C)C)C2)nc1
InChIInChI=1S/C17H24N6O2/c1-13-6-18-17(19-7-13)22-8-14(11-25-12-16(24)21(2)3)9-23-15(10-22)4-5-20-23/h4-7,14H,8-12H2,1-3H3
InChIKeyJJPSKUKPOGEPTF-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.72
Rot. Bonds5

About N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide

N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide (PubChem CID 134073699) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
PubChem CID134073699
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
SMILESCc1cnc(N2Cc3ccnn3CC(COCC(=O)N(C)C)C2)nc1
InChIInChI=1S/C17H24N6O2/c1-13-6-18-17(19-7-13)22-8-14(11-25-12-16(24)21(2)3)9-23-15(10-22)4-5-20-23/h4-7,14H,8-12H2,1-3H3
InChIKeyJJPSKUKPOGEPTF-UHFFFAOYSA-N
XLogP0.72
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide with MolForge

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Related Compounds

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
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)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]-N,N-dimethylacetamide
CID 133141723
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
7-(Cyclopropylmethoxymethyl)-5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155839950
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
2-[(5-Pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155851269
N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 131642866
N,N-dimethyl-1-[5-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
CID 56899412
N-({5-[(2-isopropylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)-2-methoxyacetamide
CID 72853312

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide (CID 134073699) is N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide is Cc1cnc(N2Cc3ccnn3CC(COCC(=O)N(C)C)C2)nc1.
What is the InChIKey of N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide?
The InChIKey is JJPSKUKPOGEPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13-6-18-17(19-7-13)22-8-14(11-25-12-16(24)21(2)3)9-23-15(10-22)4-5-20-23/h4-7,14H,8-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide?
N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide is sourced from PubChem (CID 134073699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).