(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone

C17H21N7O — CID 138385010

IUPAC(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc(N2CCCN(C(=O)c3cnn4ccn(C)c34)CC2)nn1
InChIInChI=1S/C17H21N7O/c1-13-4-5-15(20-19-13)22-6-3-7-23(10-9-22)17(25)14-12-18-24-11-8-21(2)16(14)24/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3
InChIKeySEBMGQAZRMMRAV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.12
Rot. Bonds2

About (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone

(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 138385010) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
PubChem CID138385010
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1ccc(N2CCCN(C(=O)c3cnn4ccn(C)c34)CC2)nn1
InChIInChI=1S/C17H21N7O/c1-13-4-5-15(20-19-13)22-6-3-7-23(10-9-22)17(25)14-12-18-24-11-8-21(2)16(14)24/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3
InChIKeySEBMGQAZRMMRAV-UHFFFAOYSA-N
XLogP1.12
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 138382094
(5-chlorothiophen-2-yl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341264
(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334399
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122341284
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519
(4-ethoxy-3-methylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86938536
(4-chloro-3-methylsulfonylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86941349
(2,4-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121053795
(2,5-dimethylphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone (CID 138385010) is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone is Cc1ccc(N2CCCN(C(=O)c3cnn4ccn(C)c34)CC2)nn1.
What is the InChIKey of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is SEBMGQAZRMMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-13-4-5-15(20-19-13)22-6-3-7-23(10-9-22)17(25)14-12-18-24-11-8-21(2)16(14)24/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3.
What are the key properties of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone?
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 138385010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).