N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C26H28N6O2S — CID 139382546

IUPACN-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C26H28N6O2S/c1-16-28-14-24(35-16)22-12-17-4-3-5-19(20(17)13-29-22)25-21-15-31(26(33)27-2)9-6-23(21)32(30-25)18-7-10-34-11-8-18/h3-5,12-14,18H,6-11,15H2,1-2H3,(H,27,33)
InChIKeyBNXBPVWPQUNLKA-UHFFFAOYSA-N
MW488.62 g/mol
LogP4.58
Rot. Bonds3

About N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 139382546) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID139382546
Molecular FormulaC26H28N6O2S
Molecular Weight488.62 g/mol
Exact Mass488.20
IUPAC NameN-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C26H28N6O2S/c1-16-28-14-24(35-16)22-12-17-4-3-5-19(20(17)13-29-22)25-21-15-31(26(33)27-2)9-6-23(21)32(30-25)18-7-10-34-11-8-18/h3-5,12-14,18H,6-11,15H2,1-2H3,(H,27,33)
InChIKeyBNXBPVWPQUNLKA-UHFFFAOYSA-N
XLogP4.58
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 132186523
CBP/p300-IN-2
CID 132169396
US11247989, Example 91
CID 132186512
US11247989, Example 46
CID 132169765
US11247989, Example 93
CID 132186740
US11247989, Example 35
CID 132168800
US11247989, Example 45
CID 132169399
US11247989, Example 10
CID 132169428
US11247989, Example 53
CID 132169446
US11247989, Example 34
CID 132169462
US11247989, Example 49
CID 132169538
US11247989, Example 90
CID 132186437

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 139382546) is N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCOCC2)C1.
What is the InChIKey of N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BNXBPVWPQUNLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-16-28-14-24(35-16)22-12-17-4-3-5-19(20(17)13-29-22)25-21-15-31(26(33)27-2)9-6-23(21)32(30-25)18-7-10-34-11-8-18/h3-5,12-14,18H,6-11,15H2,1-2H3,(H,27,33).
What are the key properties of N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 488.62 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 139382546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).