1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide

C27H28N4O — CID 51852866

IUPAC1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)N[C@@H]3CCCc4ccccc43)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C27H28N4O/c1-4-31-26-25(18(3)30-31)22(16-24(28-26)20-14-12-17(2)13-15-20)27(32)29-23-11-7-9-19-8-5-6-10-21(19)23/h5-6,8,10,12-16,23H,4,7,9,11H2,1-3H3,(H,29,32)/t23-/m1/s1
InChIKeyCZEMHSIIGDLXFS-HSZRJFAPSA-N
MW424.55 g/mol
LogP5.54
Rot. Bonds4

About 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 51852866) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID51852866
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)N[C@@H]3CCCc4ccccc43)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C27H28N4O/c1-4-31-26-25(18(3)30-31)22(16-24(28-26)20-14-12-17(2)13-15-20)27(32)29-23-11-7-9-19-8-5-6-10-21(19)23/h5-6,8,10,12-16,23H,4,7,9,11H2,1-3H3,(H,29,32)/t23-/m1/s1
InChIKeyCZEMHSIIGDLXFS-HSZRJFAPSA-N
XLogP5.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-1,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148429
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
3,6-dimethyl-1-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823024
1-ethyl-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 98221181
N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493888
6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854841
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 42978287
1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167824044
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012
2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 19583652
1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide
CID 93016508

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 51852866) is 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is CCn1nc(C)c2c(C(=O)N[C@@H]3CCCc4ccccc43)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CZEMHSIIGDLXFS-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N4O/c1-4-31-26-25(18(3)30-31)22(16-24(28-26)20-14-12-17(2)13-15-20)27(32)29-23-11-7-9-19-8-5-6-10-21(19)23/h5-6,8,10,12-16,23H,4,7,9,11H2,1-3H3,(H,29,32)/t23-/m1/s1.
What are the key properties of 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide?
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51852866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).