9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride

C17H23ClN4O3S — CID 154901633

IUPAC9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride
SMILESCOc1cc(=O)n2c(c1C(=O)NCCc1scnc1C)CCNCC2.Cl
InChIInChI=1S/C17H22N4O3S.ClH/c1-11-14(25-10-20-11)4-6-19-17(23)16-12-3-5-18-7-8-21(12)15(22)9-13(16)24-2;/h9-10,18H,3-8H2,1-2H3,(H,19,23);1H
InChIKeyFKOCJQUADWRABO-UHFFFAOYSA-N
MW398.92 g/mol
LogP1.16
Rot. Bonds5

About 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride

9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride (PubChem CID 154901633) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride
PubChem CID154901633
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC Name9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride
SMILESCOc1cc(=O)n2c(c1C(=O)NCCc1scnc1C)CCNCC2.Cl
InChIInChI=1S/C17H22N4O3S.ClH/c1-11-14(25-10-20-11)4-6-19-17(23)16-12-3-5-18-7-8-21(12)15(22)9-13(16)24-2;/h9-10,18H,3-8H2,1-2H3,(H,19,23);1H
InChIKeyFKOCJQUADWRABO-UHFFFAOYSA-N
XLogP1.16
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride 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

N-[3-(dimethylamino)propyl]-9-methoxy-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 118759010
9-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 131942055
9-methoxy-7-oxo-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 118767465
5-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146046278
3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 110718437
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
N-[2-(cyclohexen-1-yl)ethyl]-9-(2-methoxyethoxy)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide
CID 91912856
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
9-methoxy-N-[(2-methoxyphenyl)methyl]-7-oxo-3-(1,3-thiazol-2-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 26347330
4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 122570879

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride?
The IUPAC name of 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride (CID 154901633) is 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride.
What is the SMILES notation for 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride?
The canonical SMILES for 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride is COc1cc(=O)n2c(c1C(=O)NCCc1scnc1C)CCNCC2.Cl.
What is the InChIKey of 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride?
The InChIKey is FKOCJQUADWRABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S.ClH/c1-11-14(25-10-20-11)4-6-19-17(23)16-12-3-5-18-7-8-21(12)15(22)9-13(16)24-2;/h9-10,18H,3-8H2,1-2H3,(H,19,23);1H.
What are the key properties of 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride?
9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride has a molecular weight of 398.92 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide;hydrochloride is sourced from PubChem (CID 154901633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).