4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C26H35N5O2 — CID 70238065

IUPAC4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCCc3ccc(OC)cc3)cnc21
InChIInChI=1S/C26H35N5O2/c1-4-31-25-22(17-29-31)24(30-18(2)20-8-6-5-7-9-20)23(16-28-25)26(32)27-15-14-19-10-12-21(33-3)13-11-19/h10-13,16-18,20H,4-9,14-15H2,1-3H3,(H,27,32)(H,28,30)
InChIKeyIOEBOPSHWUMBIH-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.81
Rot. Bonds9

About 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 70238065) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID70238065
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCCc3ccc(OC)cc3)cnc21
InChIInChI=1S/C26H35N5O2/c1-4-31-25-22(17-29-31)24(30-18(2)20-8-6-5-7-9-20)23(16-28-25)26(32)27-15-14-19-10-12-21(33-3)13-11-19/h10-13,16-18,20H,4-9,14-15H2,1-3H3,(H,27,32)(H,28,30)
InChIKeyIOEBOPSHWUMBIH-UHFFFAOYSA-N
XLogP4.81
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238475
N-(2-acetamidoethyl)-4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70237982
N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139920791
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239148
4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238062
N-(1H-benzimidazol-2-ylmethyl)-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238018
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[(1-methylcyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006525
1-ethyl-4-[(4-methoxyiminocyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87654004
4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247796
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69006041
1-ethyl-N-[(4-methoxyphenyl)methyl]-4-[[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87653063
1-[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carbonyl]piperidine-3-carboxamide
CID 70238586

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 70238065) is 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCCc3ccc(OC)cc3)cnc21.
What is the InChIKey of 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is IOEBOPSHWUMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-31-25-22(17-29-31)24(30-18(2)20-8-6-5-7-9-20)23(16-28-25)26(32)27-15-14-19-10-12-21(33-3)13-11-19/h10-13,16-18,20H,4-9,14-15H2,1-3H3,(H,27,32)(H,28,30).
What are the key properties of 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethylamino)-1-ethyl-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 70238065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).