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

C18H18N6 — CID 56883632

IUPAC2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cn(-c2ccc3[nH]ccc3c2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C18H18N6/c1-5-19-12-15-11-17(22-24(15)8-1)18-21-7-9-23(18)14-2-3-16-13(10-14)4-6-20-16/h2-4,6-7,9-11,19-20H,1,5,8,12H2
InChIKeyMXIIQOGTWQMWQD-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.71
Rot. Bonds2

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

2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56883632) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56883632
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cn(-c2ccc3[nH]ccc3c2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C18H18N6/c1-5-19-12-15-11-17(22-24(15)8-1)18-21-7-9-23(18)14-2-3-16-13(10-14)4-6-20-16/h2-4,6-7,9-11,19-20H,1,5,8,12H2
InChIKeyMXIIQOGTWQMWQD-UHFFFAOYSA-N
XLogP2.71
TPSA63.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methylsulfanylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70765573
2-[1-[3-(1H-imidazol-5-yl)phenyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56918787
2-[1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70732336
N-phenyl-5-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]pyridin-2-amine;hydrochloride
CID 154894176
2-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]phenyl]-1,3,4-thiadiazole
CID 70754023
2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70770666
2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154893483
1-[2-methyl-5-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 154894027
5-methoxy-6-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154894726
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70768659
(4R)-1-(4-fluorophenyl)-4-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 95874630

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56883632) is 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is c1cn(-c2ccc3[nH]ccc3c2)c(-c2cc3n(n2)CCCNC3)n1.
What is the InChIKey of 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is MXIIQOGTWQMWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-5-19-12-15-11-17(22-24(15)8-1)18-21-7-9-23(18)14-2-3-16-13(10-14)4-6-20-16/h2-4,6-7,9-11,19-20H,1,5,8,12H2.
What are the key properties of 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 318.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indol-5-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56883632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).