4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide

C22H28N6O2 — CID 6539585

IUPAC4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide
SMILESCCN1CCN(CCCC(=O)Nc2n[nH]c3nc(-c4cccc(O)c4)ccc23)CC1
InChIInChI=1S/C22H28N6O2/c1-2-27-11-13-28(14-12-27)10-4-7-20(30)24-22-18-8-9-19(23-21(18)25-26-22)16-5-3-6-17(29)15-16/h3,5-6,8-9,15,29H,2,4,7,10-14H2,1H3,(H2,23,24,25,26,30)
InChIKeyOVTRGRMOTBJXKF-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.69
Rot. Bonds7

About 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide

4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide (PubChem CID 6539585) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide
PubChem CID6539585
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide
SMILESCCN1CCN(CCCC(=O)Nc2n[nH]c3nc(-c4cccc(O)c4)ccc23)CC1
InChIInChI=1S/C22H28N6O2/c1-2-27-11-13-28(14-12-27)10-4-7-20(30)24-22-18-8-9-19(23-21(18)25-26-22)16-5-3-6-17(29)15-16/h3,5-6,8-9,15,29H,2,4,7,10-14H2,1H3,(H2,23,24,25,26,30)
InChIKeyOVTRGRMOTBJXKF-UHFFFAOYSA-N
XLogP2.69
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide (CID 6539585) is 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide is CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(-c4cccc(O)c4)ccc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide?
The InChIKey is OVTRGRMOTBJXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-2-27-11-13-28(14-12-27)10-4-7-20(30)24-22-18-8-9-19(23-21(18)25-26-22)16-5-3-6-17(29)15-16/h3,5-6,8-9,15,29H,2,4,7,10-14H2,1H3,(H2,23,24,25,26,30).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide?
4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide has a molecular weight of 408.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]butanamide is sourced from PubChem (CID 6539585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).