N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

C15H20N6O2 — CID 131642866

IUPACN-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCOCCNC(=O)C1CN(c2ncccn2)Cc2ccnn2C1
InChIInChI=1S/C15H20N6O2/c1-23-8-7-16-14(22)12-9-20(15-17-4-2-5-18-15)11-13-3-6-19-21(13)10-12/h2-6,12H,7-11H2,1H3,(H,16,22)
InChIKeySFVKOOYQNWDLIT-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.07
Rot. Bonds5

About N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (PubChem CID 131642866) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
PubChem CID131642866
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCOCCNC(=O)C1CN(c2ncccn2)Cc2ccnn2C1
InChIInChI=1S/C15H20N6O2/c1-23-8-7-16-14(22)12-9-20(15-17-4-2-5-18-15)11-13-3-6-19-21(13)10-12/h2-6,12H,7-11H2,1H3,(H,16,22)
InChIKeySFVKOOYQNWDLIT-UHFFFAOYSA-N
XLogP0.07
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}pyrimidin-2-amine
CID 70767265
N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-2-(1H-pyrazol-1-yl)butanamide
CID 70782889
2-(dimethylamino)-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrimidine-5-carboxamide
CID 92562801
7-N-(2-methoxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide
CID 118739372
N-(cyclopropylmethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118745999
N-(cyclopropylmethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118745998
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
N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 70766091
3-(4-methylpyrazol-1-yl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 72006801

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (CID 131642866) is N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is COCCNC(=O)C1CN(c2ncccn2)Cc2ccnn2C1.
What is the InChIKey of N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The InChIKey is SFVKOOYQNWDLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-23-8-7-16-14(22)12-9-20(15-17-4-2-5-18-15)11-13-3-6-19-21(13)10-12/h2-6,12H,7-11H2,1H3,(H,16,22).
What are the key properties of N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-pyrimidin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 131642866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).