5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C19H24N8 — CID 56896843

IUPAC5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1cnc(N2CCCn3nc(CN4CCCn5cncc5C4)cc3C2)nc1
InChIInChI=1S/C19H24N8/c1-4-21-19(22-5-1)25-7-3-9-27-17(14-25)10-16(23-27)12-24-6-2-8-26-15-20-11-18(26)13-24/h1,4-5,10-11,15H,2-3,6-9,12-14H2
InChIKeyZEFZEOKXIZOJJU-UHFFFAOYSA-N
MW364.46 g/mol
LogP1.69
Rot. Bonds3

About 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 56896843) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID56896843
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1cnc(N2CCCn3nc(CN4CCCn5cncc5C4)cc3C2)nc1
InChIInChI=1S/C19H24N8/c1-4-21-19(22-5-1)25-7-3-9-27-17(14-25)10-16(23-27)12-24-6-2-8-26-15-20-11-18(26)13-24/h1,4-5,10-11,15H,2-3,6-9,12-14H2
InChIKeyZEFZEOKXIZOJJU-UHFFFAOYSA-N
XLogP1.69
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine with MolForge

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Related Compounds

2-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56904821
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
2-{1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56909304
6-(Pyrazol-1-ylmethyl)-8-(pyridin-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118744388
2-{1-[6-(1-azepanyl)-3-pyridinyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56889661
2-{1-[2-(4-methyl-1-piperazinyl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56910958
2-{1-[3-(1-pyrrolidinyl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70782088
2-{1-[(1-ethyl-2-pyrrolidinyl)methyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70785822
N,N-dimethyl-N'-({5-[(1-propyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)urea
CID 70728504
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)-N,N-dimethylurea
CID 70744297
5-(3,6-dimethylpyrazin-2-yl)-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 56892891
N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 70724090

Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 56896843) is 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is c1cnc(N2CCCn3nc(CN4CCCn5cncc5C4)cc3C2)nc1.
What is the InChIKey of 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is ZEFZEOKXIZOJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-4-21-19(22-5-1)25-7-3-9-27-17(14-25)10-16(23-27)12-24-6-2-8-26-15-20-11-18(26)13-24/h1,4-5,10-11,15H,2-3,6-9,12-14H2.
What are the key properties of 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 364.46 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-2-yl-2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56896843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).