(3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone

C17H19N5OS — CID 97467107

IUPAC(3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCc1ccsc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1
InChIInChI=1S/C17H19N5OS/c1-13-4-10-24-16(13)17(23)20-7-3-15-18-11-14(22(15)9-8-20)12-21-6-2-5-19-21/h2,4-6,10-11H,3,7-9,12H2,1H3
InChIKeyWCQFVVWBDVZYEW-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.20
Rot. Bonds3

About (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone

(3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (PubChem CID 97467107) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
PubChem CID97467107
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
SMILESCc1ccsc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1
InChIInChI=1S/C17H19N5OS/c1-13-4-10-24-16(13)17(23)20-7-3-15-18-11-14(22(15)9-8-20)12-21-6-2-5-19-21/h2,4-6,10-11H,3,7-9,12H2,1H3
InChIKeyWCQFVVWBDVZYEW-UHFFFAOYSA-N
XLogP2.20
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone with MolForge

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Related Compounds

5-butyl-N-[(2,3-dimethylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 60207843
(1,3-Dimethylthieno[3,2-d]pyrazol-5-yl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53623562
1-(5-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-3-thienyl)-N,N-dimethylmethanamine
CID 56760491
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
CID 97382162
[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(3-methylthiophen-2-yl)methanone
CID 97390178
Thiophen-2-yl-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97390225
(3-Methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 97405545
1-[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-thiophen-3-ylethanone
CID 97466952
(3-Methylthiophen-2-yl)-[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467011
1-[3-(Pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-thiophen-3-ylethanone
CID 97467108
1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
CID 97467491
4-methyl-N-(2-(1-methyl-4-(thiophen-2-yl)-1H-imidazol-2-yl)ethyl)thiophene-2-carboxamide
CID 71797183

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone (CID 97467107) is (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is Cc1ccsc1C(=O)N1CCc2ncc(Cn3cccn3)n2CC1.
What is the InChIKey of (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
The InChIKey is WCQFVVWBDVZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-13-4-10-24-16(13)17(23)20-7-3-15-18-11-14(22(15)9-8-20)12-21-6-2-5-19-21/h2,4-6,10-11H,3,7-9,12H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone?
(3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone has a molecular weight of 341.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone is sourced from PubChem (CID 97467107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).