3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

C27H24N6O2S — CID 164572141

IUPAC3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESCn1nccc1-c1ccc2c(=O)n(Cc3cccc(C(=O)Nc4nc5c(s4)CCNC5)c3)ccc2c1
InChIInChI=1S/C27H24N6O2S/c1-32-23(7-11-29-32)19-5-6-21-18(14-19)9-12-33(26(21)35)16-17-3-2-4-20(13-17)25(34)31-27-30-22-15-28-10-8-24(22)36-27/h2-7,9,11-14,28H,8,10,15-16H2,1H3,(H,30,31,34)
InChIKeyJCBALPKOHGEKIO-UHFFFAOYSA-N
MW496.60 g/mol
LogP3.80
Rot. Bonds5

About 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (PubChem CID 164572141) has the molecular formula C27H24N6O2S and a molecular weight of 496.60 g/mol. Its IUPAC name is 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
PubChem CID164572141
Molecular FormulaC27H24N6O2S
Molecular Weight496.60 g/mol
Exact Mass496.17
IUPAC Name3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
SMILESCn1nccc1-c1ccc2c(=O)n(Cc3cccc(C(=O)Nc4nc5c(s4)CCNC5)c3)ccc2c1
InChIInChI=1S/C27H24N6O2S/c1-32-23(7-11-29-32)19-5-6-21-18(14-19)9-12-33(26(21)35)16-17-3-2-4-20(13-17)25(34)31-27-30-22-15-28-10-8-24(22)36-27/h2-7,9,11-14,28H,8,10,15-16H2,1H3,(H,30,31,34)
InChIKeyJCBALPKOHGEKIO-UHFFFAOYSA-N
XLogP3.80
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide with MolForge

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Related Compounds

3-fluoro-5-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 164572499
3-[[6-(2-amino-4-pyridinyl)-1-oxoisoquinolin-2-yl]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide
CID 164572244
N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
CID 164572319
2,4-dioxo-3-propyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-quinazoline-7-carboxamide
CID 138106852
3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 164572597
N-(2-fluoro-4-pyridinyl)-3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]benzamide
CID 167403795
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide
CID 164572306
3-[(6-chloro-1-oxoisoquinolin-2-yl)methyl]benzoic acid
CID 93225210
3-[[1-oxo-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]isoquinolin-2-yl]methyl]-N-(4-sulfamoylphenyl)benzamide
CID 167162428
2,5-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
CID 66128632
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24621148
3-bromo-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 27421670

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The IUPAC name of 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide (CID 164572141) is 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The canonical SMILES for 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is Cn1nccc1-c1ccc2c(=O)n(Cc3cccc(C(=O)Nc4nc5c(s4)CCNC5)c3)ccc2c1.
What is the InChIKey of 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
The InChIKey is JCBALPKOHGEKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2S/c1-32-23(7-11-29-32)19-5-6-21-18(14-19)9-12-33(26(21)35)16-17-3-2-4-20(13-17)25(34)31-27-30-22-15-28-10-8-24(22)36-27/h2-7,9,11-14,28H,8,10,15-16H2,1H3,(H,30,31,34).
What are the key properties of 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide?
3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide has a molecular weight of 496.60 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 164572141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).