2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C18H28N6O — CID 70748926

IUPAC2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCOCCN1CCC(Cn2ccnc2-c2cc3n(n2)CCCNC3)C1
InChIInChI=1S/C18H28N6O/c1-25-10-9-22-7-3-15(13-22)14-23-8-5-20-18(23)17-11-16-12-19-4-2-6-24(16)21-17/h5,8,11,15,19H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyIUIIVKYXPCSOMN-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.21
Rot. Bonds6

About 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 70748926) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID70748926
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCOCCN1CCC(Cn2ccnc2-c2cc3n(n2)CCCNC3)C1
InChIInChI=1S/C18H28N6O/c1-25-10-9-22-7-3-15(13-22)14-23-8-5-20-18(23)17-11-16-12-19-4-2-6-24(16)21-17/h5,8,11,15,19H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyIUIIVKYXPCSOMN-UHFFFAOYSA-N
XLogP1.21
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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
3-(2-methyl-1H-imidazol-1-yl)-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
CID 70781862
2-{1-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56882221
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
1-{3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1H-imidazol-1-yl]propyl}-2-pyrrolidinone
CID 70717051
2-[1-(1,4-dioxan-2-ylmethyl)-1H-imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70736265
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 70748926) is 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]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-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is COCCN1CCC(Cn2ccnc2-c2cc3n(n2)CCCNC3)C1.
What is the InChIKey of 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is IUIIVKYXPCSOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-25-10-9-22-7-3-15(13-22)14-23-8-5-20-18(23)17-11-16-12-19-4-2-6-24(16)21-17/h5,8,11,15,19H,2-4,6-7,9-10,12-14H2,1H3.
What are the key properties of 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 344.46 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 70748926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).