1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide

C23H34N6O2 — CID 70238586

IUPAC1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide
SMILESCCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)N3CCCC(C(N)=O)C3)cnc21
InChIInChI=1S/C23H34N6O2/c1-3-29-22-18(13-26-29)20(27-15(2)16-8-5-4-6-9-16)19(12-25-22)23(31)28-11-7-10-17(14-28)21(24)30/h12-13,15-17H,3-11,14H2,1-2H3,(H2,24,30)(H,25,27)
InChIKeyIFPDWOCHAIWJMQ-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.17
Rot. Bonds6

About 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide

1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide (PubChem CID 70238586) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide
PubChem CID70238586
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide
SMILESCCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)N3CCCC(C(N)=O)C3)cnc21
InChIInChI=1S/C23H34N6O2/c1-3-29-22-18(13-26-29)20(27-15(2)16-8-5-4-6-9-16)19(12-25-22)23(31)28-11-7-10-17(14-28)21(24)30/h12-13,15-17H,3-11,14H2,1-2H3,(H2,24,30)(H,25,27)
InChIKeyIFPDWOCHAIWJMQ-UHFFFAOYSA-N
XLogP3.17
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 70239834
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 59975380
N-(2-acetamidoethyl)-4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70237982
8-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 70239302
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239148
N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139920791
4-[[(1S)-1-cyclohexylethyl]amino]-1-ethyl-N-(2-oxoazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238639
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239944
4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238062
4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238475
4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238065
1-[4-[(1-acetylpiperidin-4-yl)amino]-1-ethylpyrazolo[3,4-b]pyridin-5-yl]ethanone
CID 58629430

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide (CID 70238586) is 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide is CCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)N3CCCC(C(N)=O)C3)cnc21.
What is the InChIKey of 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is IFPDWOCHAIWJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-3-29-22-18(13-26-29)20(27-15(2)16-8-5-4-6-9-16)19(12-25-22)23(31)28-11-7-10-17(14-28)21(24)30/h12-13,15-17H,3-11,14H2,1-2H3,(H2,24,30)(H,25,27).
What are the key properties of 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide?
1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 70238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).