N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

C19H28N6O — CID 70716071

IUPACN-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCn1ccnc1CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1
InChIInChI=1S/C19H28N6O/c1-2-24-10-7-20-18(24)14-23-8-4-9-25-17(13-23)11-16(22-25)12-21-19(26)15-5-3-6-15/h7,10-11,15H,2-6,8-9,12-14H2,1H3,(H,21,26)
InChIKeyKBIGSRHYHSYCMC-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.92
Rot. Bonds6

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

N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 70716071) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID70716071
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESCCn1ccnc1CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1
InChIInChI=1S/C19H28N6O/c1-2-24-10-7-20-18(24)14-23-8-4-9-25-17(13-23)11-16(22-25)12-21-19(26)15-5-3-6-15/h7,10-11,15H,2-6,8-9,12-14H2,1H3,(H,21,26)
InChIKeyKBIGSRHYHSYCMC-UHFFFAOYSA-N
XLogP1.92
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91911715
N-[2-(1H-imidazol-4-yl)ethyl]-5-isopropyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50981878
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 53599381
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53605638
2-{1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56908814
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-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-4,6-dimethylpyrimidin-2-amine
CID 70708993
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}-6-methylpyrimidin-4-amine
CID 70754386
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-(methylthio)pyrimidin-4-amine
CID 70757322
N~4~-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 70760492
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}pyrimidin-2-amine
CID 70767265

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (CID 70716071) is N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is CCn1ccnc1CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1.
What is the InChIKey of N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is KBIGSRHYHSYCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-24-10-7-20-18(24)14-23-8-4-9-25-17(13-23)11-16(22-25)12-21-19(26)15-5-3-6-15/h7,10-11,15H,2-6,8-9,12-14H2,1H3,(H,21,26).
What are the key properties of N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-ethylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 70716071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).