(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone

C17H22N6OS — CID 137335347

IUPAC(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ncsc1CN1CCCN(C(=O)c2cnn3ccn(C)c23)CC1
InChIInChI=1S/C17H22N6OS/c1-13-15(25-12-18-13)11-21-4-3-5-22(8-7-21)17(24)14-10-19-23-9-6-20(2)16(14)23/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyANDDPJIJPNLSSH-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.79
Rot. Bonds3

About (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone

(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 137335347) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID137335347
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ncsc1CN1CCCN(C(=O)c2cnn3ccn(C)c23)CC1
InChIInChI=1S/C17H22N6OS/c1-13-15(25-12-18-13)11-21-4-3-5-22(8-7-21)17(24)14-10-19-23-9-6-20(2)16(14)23/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyANDDPJIJPNLSSH-UHFFFAOYSA-N
XLogP1.79
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone 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

(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 138385010
1-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 138382090
2-(4-methoxyphenyl)-1-[4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 137344851
1-[(3,4-dimethylphenyl)methyl]-4-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperazin-2-one
CID 118766814
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 47537838
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 119070661
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213744
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 169411306
1-(4-methylpiperazin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 110679590

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 137335347) is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone is Cc1ncsc1CN1CCCN(C(=O)c2cnn3ccn(C)c23)CC1.
What is the InChIKey of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is ANDDPJIJPNLSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-13-15(25-12-18-13)11-21-4-3-5-22(8-7-21)17(24)14-10-19-23-9-6-20(2)16(14)23/h6,9-10,12H,3-5,7-8,11H2,1-2H3.
What are the key properties of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone?
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 358.47 g/mol, XLogP of 1.79, 3 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-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 137335347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).