cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C18H24N6O — CID 70708303

IUPACcyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1nccc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1
InChIInChI=1S/C18H24N6O/c1-13-19-7-6-17(21-13)20-11-15-10-16-12-23(8-3-9-24(16)22-15)18(25)14-4-2-5-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,19,20,21)
InChIKeyYMQBEDJKZMALDU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.13
Rot. Bonds4

About cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 70708303) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID70708303
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Namecyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1nccc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1
InChIInChI=1S/C18H24N6O/c1-13-19-7-6-17(21-13)20-11-15-10-16-12-23(8-3-9-24(16)22-15)18(25)14-4-2-5-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,19,20,21)
InChIKeyYMQBEDJKZMALDU-UHFFFAOYSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone with MolForge

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Related Compounds

N-[3-[[2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 145900909
N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 29084238
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954786
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53625143
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 53625753
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-[(1-ethyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)cyclobutanecarboxamide
CID 70716071
N-methyl-N-{[2-(methylamino)-5-pyrimidinyl]methyl}-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide dihydrochloride
CID 70724697
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

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 70708303) is cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is Cc1nccc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)n1.
What is the InChIKey of cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is YMQBEDJKZMALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-19-7-6-17(21-13)20-11-15-10-16-12-23(8-3-9-24(16)22-15)18(25)14-4-2-5-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,19,20,21).
What are the key properties of cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 70708303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).