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

C24H32N6O — CID 70238475

IUPAC4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCCc3cccnc3)cnc21
InChIInChI=1S/C24H32N6O/c1-3-30-23-20(16-28-30)22(29-17(2)19-9-5-4-6-10-19)21(15-27-23)24(31)26-13-11-18-8-7-12-25-14-18/h7-8,12,14-17,19H,3-6,9-11,13H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyISBVXNPNBZHWFM-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.20
Rot. Bonds8

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

4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 70238475) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID70238475
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCCc3cccnc3)cnc21
InChIInChI=1S/C24H32N6O/c1-3-30-23-20(16-28-30)22(29-17(2)19-9-5-4-6-10-19)21(15-27-23)24(31)26-13-11-18-8-7-12-25-14-18/h7-8,12,14-17,19H,3-6,9-11,13H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyISBVXNPNBZHWFM-UHFFFAOYSA-N
XLogP4.20
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-benzyl-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 139920791
N-(2-acetamidoethyl)-4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70237982
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
1-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007530
N-(1H-benzimidazol-2-ylmethyl)-4-[[(1R)-1-cyclohexylethyl]amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238018
4-[[(1S)-1-cyclohexylethyl]amino]-1-ethyl-N-(2-oxoazepan-3-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238639
4-(1-cyclohexylethylamino)-1-ethyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70238062
4-(cyclohexylamino)-1-ethyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69247480
[4-(1-cyclohexylethylamino)-1-ethylpyrazolo[3,4-b]pyridin-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 70239834
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
1-ethyl-N-[2-(1-methylimidazol-4-yl)ethyl]-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 10023724

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 70238475) is 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCCc3cccnc3)cnc21.
What is the InChIKey of 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ISBVXNPNBZHWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-3-30-23-20(16-28-30)22(29-17(2)19-9-5-4-6-10-19)21(15-27-23)24(31)26-13-11-18-8-7-12-25-14-18/h7-8,12,14-17,19H,3-6,9-11,13H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of 4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-(1-cyclohexylethylamino)-1-ethyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.20, 8 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-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 70238475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).