5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine

C21H26N4O2 — CID 155225713

IUPAC5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ccccc1C(C)(C)c1cc(N[C@@H]2CCOC2)c2[nH]ncc2n1
InChIInChI=1S/C21H26N4O2/c1-4-27-18-8-6-5-7-15(18)21(2,3)19-11-16(23-14-9-10-26-13-14)20-17(24-19)12-22-25-20/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyQKONMKBKHTVLSV-CQSZACIVSA-N
MW366.47 g/mol
LogP3.88
Rot. Bonds6

About 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine

5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 155225713) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine
PubChem CID155225713
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ccccc1C(C)(C)c1cc(N[C@@H]2CCOC2)c2[nH]ncc2n1
InChIInChI=1S/C21H26N4O2/c1-4-27-18-8-6-5-7-15(18)21(2,3)19-11-16(23-14-9-10-26-13-14)20-17(24-19)12-22-25-20/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyQKONMKBKHTVLSV-CQSZACIVSA-N
XLogP3.88
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine (CID 155225713) is 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine is CCOc1ccccc1C(C)(C)c1cc(N[C@@H]2CCOC2)c2[nH]ncc2n1.
What is the InChIKey of 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is QKONMKBKHTVLSV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-27-18-8-6-5-7-15(18)21(2,3)19-11-16(23-14-9-10-26-13-14)20-17(24-19)12-22-25-20/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,22,25)(H,23,24)/t14-/m1/s1.
What are the key properties of 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine?
5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 366.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxyphenyl)propan-2-yl]-N-[(3R)-oxolan-3-yl]-1H-pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155225713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).