4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

C25H33N5O2 — CID 69247796

IUPAC4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cnc3c(cnn3CC)c2NC2CCCCC2)cc1
InChIInChI=1S/C25H33N5O2/c1-4-30-24-21(16-27-30)23(29-19-9-7-6-8-10-19)22(15-26-24)25(31)28-17(3)18-11-13-20(14-12-18)32-5-2/h11-17,19H,4-10H2,1-3H3,(H,26,29)(H,28,31)
InChIKeyOEBKGNNVGAMUKH-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.09
Rot. Bonds8

About 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69247796) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69247796
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cnc3c(cnn3CC)c2NC2CCCCC2)cc1
InChIInChI=1S/C25H33N5O2/c1-4-30-24-21(16-27-30)23(29-19-9-7-6-8-10-19)22(15-26-24)25(31)28-17(3)18-11-13-20(14-12-18)32-5-2/h11-17,19H,4-10H2,1-3H3,(H,26,29)(H,28,31)
InChIKeyOEBKGNNVGAMUKH-UHFFFAOYSA-N
XLogP5.09
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 69247796) is 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is CCOc1ccc(C(C)NC(=O)c2cnc3c(cnn3CC)c2NC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is OEBKGNNVGAMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-4-30-24-21(16-27-30)23(29-19-9-7-6-8-10-19)22(15-26-24)25(31)28-17(3)18-11-13-20(14-12-18)32-5-2/h11-17,19H,4-10H2,1-3H3,(H,26,29)(H,28,31).
What are the key properties of 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69247796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).