2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H22N8 — CID 56894413

IUPAC2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1ccn2c(CCCn3ccnc3-c3cc4n(n3)CCCNC4)nnc2c1
InChIInChI=1S/C19H22N8/c1-2-10-26-17(5-1)22-23-18(26)6-3-9-25-12-8-21-19(25)16-13-15-14-20-7-4-11-27(15)24-16/h1-2,5,8,10,12-13,20H,3-4,6-7,9,11,14H2
InChIKeyHGJFNKRPBTUXHK-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.92
Rot. Bonds5

About 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56894413) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56894413
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1ccn2c(CCCn3ccnc3-c3cc4n(n3)CCCNC4)nnc2c1
InChIInChI=1S/C19H22N8/c1-2-10-26-17(5-1)22-23-18(26)6-3-9-25-12-8-21-19(25)16-13-15-14-20-7-4-11-27(15)24-16/h1-2,5,8,10,12-13,20H,3-4,6-7,9,11,14H2
InChIKeyHGJFNKRPBTUXHK-UHFFFAOYSA-N
XLogP1.92
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine with MolForge

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Related Compounds

4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
N,N-dimethyl-1-(2-methylphenyl)-2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethanamine;dihydrochloride
CID 154895189
2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910958
2-[1-[(3-phenylpyrazolidin-4-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 78084607
2-[1-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893169
2-[1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95897586
5-benzyl-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 154893561
3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 163334095
3-benzyl-5-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole;dihydrochloride
CID 154895537
4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride
CID 154894310
2-[1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893410
5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 154893385

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56894413) is 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is c1ccn2c(CCCn3ccnc3-c3cc4n(n3)CCCNC4)nnc2c1.
What is the InChIKey of 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is HGJFNKRPBTUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-2-10-26-17(5-1)22-23-18(26)6-3-9-25-12-8-21-19(25)16-13-15-14-20-7-4-11-27(15)24-16/h1-2,5,8,10,12-13,20H,3-4,6-7,9,11,14H2.
What are the key properties of 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]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 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56894413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).