2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide

C33H32N8O2S — CID 167520109

IUPAC2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
SMILESCc1c2c(nn1CC1CCCCC1)[nH]c(=O)c1nc(N3CCc4cccc(C(=O)Nc5nc6cccnc6s5)c4C3)ccc12
InChIInChI=1S/C33H32N8O2S/c1-19-27-23-12-13-26(36-28(23)31(43)37-29(27)39-41(19)17-20-7-3-2-4-8-20)40-16-14-21-9-5-10-22(24(21)18-40)30(42)38-33-35-25-11-6-15-34-32(25)44-33/h5-6,9-13,15,20H,2-4,7-8,14,16-18H2,1H3,(H,35,38,42)(H,37,39,43)
InChIKeyUSODMSKHKAQLAU-UHFFFAOYSA-N
MW604.74 g/mol
LogP5.98
Rot. Bonds5

About 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide

2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide (PubChem CID 167520109) has the molecular formula C33H32N8O2S and a molecular weight of 604.74 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
PubChem CID167520109
Molecular FormulaC33H32N8O2S
Molecular Weight604.74 g/mol
Exact Mass604.24
IUPAC Name2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
SMILESCc1c2c(nn1CC1CCCCC1)[nH]c(=O)c1nc(N3CCc4cccc(C(=O)Nc5nc6cccnc6s5)c4C3)ccc12
InChIInChI=1S/C33H32N8O2S/c1-19-27-23-12-13-26(36-28(23)31(43)37-29(27)39-41(19)17-20-7-3-2-4-8-20)40-16-14-21-9-5-10-22(24(21)18-40)30(42)38-33-35-25-11-6-15-34-32(25)44-33/h5-6,9-13,15,20H,2-4,7-8,14,16-18H2,1H3,(H,35,38,42)(H,37,39,43)
InChIKeyUSODMSKHKAQLAU-UHFFFAOYSA-N
XLogP5.98
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.74
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide with MolForge

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Related Compounds

2-[5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 167519640
3-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-6-[8-([1,3]thiazolo[5,4-b]pyridin-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxylic acid
CID 167520800
2-[5-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 167519728
6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[5-methyl-1-(oxan-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 71554613
N-(1,3-benzothiazol-2-yl)-2-[5-[5-methyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-6-propan-2-yl-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 167520769
tert-butyl 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-(cyclohexylmethyl)-5-ethylpyrazol-4-yl]pyridine-2-carboxylate
CID 89498292
6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-cyclohexylpyridine-2-carboxylic acid
CID 59447600
N-(1,3-benzothiazol-2-yl)-2-[6-[(3-cyano-4-piperidin-1-ylphenyl)sulfonylcarbamoyl]-5-[1-(cyclohexylmethyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 175846759
tert-butyl 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[3-(cyclohexylmethoxy)-2-methylphenyl]pyridine-2-carboxylate
CID 89498035
6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(1-ethyl-5-methylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 153489234
2-[6-cyclopropyl-5-[1-(2,2-dimethylpropyl)-5-methylpyrazol-4-yl]-2-pyridinyl]-N-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 167520967
N-(1,3-benzothiazol-2-yl)-2-[5-(3-methoxypropyl)-6-methyl-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 91328314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?
The IUPAC name of 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide (CID 167520109) is 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?
The canonical SMILES for 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide is Cc1c2c(nn1CC1CCCCC1)[nH]c(=O)c1nc(N3CCc4cccc(C(=O)Nc5nc6cccnc6s5)c4C3)ccc12.
What is the InChIKey of 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?
The InChIKey is USODMSKHKAQLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O2S/c1-19-27-23-12-13-26(36-28(23)31(43)37-29(27)39-41(19)17-20-7-3-2-4-8-20)40-16-14-21-9-5-10-22(24(21)18-40)30(42)38-33-35-25-11-6-15-34-32(25)44-33/h5-6,9-13,15,20H,2-4,7-8,14,16-18H2,1H3,(H,35,38,42)(H,37,39,43).
What are the key properties of 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide?
2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide has a molecular weight of 604.74 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethyl)-1-methyl-5-oxo-4H-pyrazolo[4,3-f][1,7]naphthyridin-7-yl]-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide is sourced from PubChem (CID 167520109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).