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

C25H31N5O — CID 98221181

IUPAC1-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
SMILESCCn1nc(C)c2c(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C25H31N5O/c1-5-30-24-23(16(3)28-30)21(14-22(27-24)17-8-6-15(2)7-9-17)25(31)26-18-12-19-10-11-20(13-18)29(19)4/h6-9,14,18-20H,5,10-13H2,1-4H3,(H,26,31)/t19-,20-/m0/s1
InChIKeyPQALVYFCEBIBTP-PMACEKPBSA-N
MW417.56 g/mol
LogP4.09
Rot. Bonds4

About 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

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 (PubChem CID 98221181) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID98221181
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name1-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
SMILESCCn1nc(C)c2c(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C25H31N5O/c1-5-30-24-23(16(3)28-30)21(14-22(27-24)17-8-6-15(2)7-9-17)25(31)26-18-12-19-10-11-20(13-18)29(19)4/h6-9,14,18-20H,5,10-13H2,1-4H3,(H,26,31)/t19-,20-/m0/s1
InChIKeyPQALVYFCEBIBTP-PMACEKPBSA-N
XLogP4.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 98220618
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852899
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852900
N-(1-butyl-5-methylpyrazol-3-yl)-1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821397
1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821453
[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 44821512
N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821435
1,3-dimethyl-6-phenyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119426357
N-cyclopentyl-1-[(3S)-1,1-dioxothiolan-3-yl]-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42111445
1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-(4-methylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27509219
N-cyclohexyl-1-[(3R)-1,1-dioxothiolan-3-yl]-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461637

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1nc(C)c2c(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of 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?
The InChIKey is PQALVYFCEBIBTP-PMACEKPBSA-N. The full InChI is InChI=1S/C25H31N5O/c1-5-30-24-23(16(3)28-30)21(14-22(27-24)17-8-6-15(2)7-9-17)25(31)26-18-12-19-10-11-20(13-18)29(19)4/h6-9,14,18-20H,5,10-13H2,1-4H3,(H,26,31)/t19-,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 417.56 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 98221181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).