N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

C24H31N5O — CID 139920791

IUPACN-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(N[C@H](C)C3CCCCC3)c(C(=O)NCc3ccccc3)cnc21
InChIInChI=1S/C24H31N5O/c1-3-29-23-20(16-27-29)22(28-17(2)19-12-8-5-9-13-19)21(15-25-23)24(30)26-14-18-10-6-4-7-11-18/h4,6-7,10-11,15-17,19H,3,5,8-9,12-14H2,1-2H3,(H,25,28)(H,26,30)/t17-/m1/s1
InChIKeyMGIKGJNROUDFCK-QGZVFWFLSA-N
MW405.55 g/mol
LogP4.76
Rot. Bonds7

About N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 139920791) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID139920791
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(N[C@H](C)C3CCCCC3)c(C(=O)NCc3ccccc3)cnc21
InChIInChI=1S/C24H31N5O/c1-3-29-23-20(16-27-29)22(28-17(2)19-12-8-5-9-13-19)21(15-25-23)24(30)26-14-18-10-6-4-7-11-18/h4,6-7,10-11,15-17,19H,3,5,8-9,12-14H2,1-2H3,(H,25,28)(H,26,30)/t17-/m1/s1
InChIKeyMGIKGJNROUDFCK-QGZVFWFLSA-N
XLogP4.76
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

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-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 59975380
4-[[(1R)-1-cyclohexylethyl]amino]-1-ethyl-N-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70239944
N-(1H-benzimidazol-2-ylmethyl)-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238018
N-(2-acetamidoethyl)-4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70237982
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CID 70238065
methyl 3-[[5-(benzylcarbamoyl)-1-ethylpyrazolo[3,4-b]pyridin-4-yl]amino]cyclohexane-1-carboxylate
CID 58629399
N-benzyl-1-ethyl-4-[(2-oxoazepan-3-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 58629456
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-1-ethyl-4-[[(2S)-1-methoxybutan-2-yl]amino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 142872842
4-(cyclohexylamino)-1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 139920791) is N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(N[C@H](C)C3CCCCC3)c(C(=O)NCc3ccccc3)cnc21.
What is the InChIKey of N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MGIKGJNROUDFCK-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H31N5O/c1-3-29-23-20(16-27-29)22(28-17(2)19-12-8-5-9-13-19)21(15-25-23)24(30)26-14-18-10-6-4-7-11-18/h4,6-7,10-11,15-17,19H,3,5,8-9,12-14H2,1-2H3,(H,25,28)(H,26,30)/t17-/m1/s1.
What are the key properties of N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 139920791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).