2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H22N8 — CID 56913787

IUPAC2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCCC(c1cn2cccnc2n1)n1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C19H22N8/c1-2-17(16-13-25-8-4-6-22-19(25)23-16)26-10-7-21-18(26)15-11-14-12-20-5-3-9-27(14)24-15/h4,6-8,10-11,13,17,20H,2-3,5,9,12H2,1H3
InChIKeyZCEVKIIOTNBBQE-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56913787) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56913787
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCCC(c1cn2cccnc2n1)n1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C19H22N8/c1-2-17(16-13-25-8-4-6-22-19(25)23-16)26-10-7-21-18(26)15-11-14-12-20-5-3-9-27(14)24-15/h4,6-8,10-11,13,17,20H,2-3,5,9,12H2,1H3
InChIKeyZCEVKIIOTNBBQE-UHFFFAOYSA-N
XLogP2.28
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(1-cyclohexylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129304
2-[[2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 53566422
5-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 53590937
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
2-{1-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56896993
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
2-{1-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 70715313
3-methyl-N-{2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1H-imidazol-1-yl]ethyl}-4-pyridinamine
CID 70715429
US20250352549, Example 25
CID 178184741
2-(1-methyl-1H-benzimidazol-2-yl)-5-[(1-propyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 50961352

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56913787) is 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is CCC(c1cn2cccnc2n1)n1ccnc1-c1cc2n(n1)CCCNC2.
What is the InChIKey of 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is ZCEVKIIOTNBBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-2-17(16-13-25-8-4-6-22-19(25)23-16)26-10-7-21-18(26)15-11-14-12-20-5-3-9-27(14)24-15/h4,6-8,10-11,13,17,20H,2-3,5,9,12H2,1H3.
What are the key properties of 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 362.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56913787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).