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

C21H26N4O2 — CID 151539182

IUPAC5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ccccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C21H26N4O2/c1-4-27-20-8-6-5-7-16(20)17-11-18(23-15-9-10-26-13-15)21-19(24-17)12-22-25(21)14(2)3/h5-8,11-12,14-15H,4,9-10,13H2,1-3H3,(H,23,24)/t15-/m1/s1
InChIKeyPYCHYVLEZWWWEZ-OAHLLOKOSA-N
MW366.47 g/mol
LogP4.28
Rot. Bonds6

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

5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 151539182) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID151539182
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ccccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C21H26N4O2/c1-4-27-20-8-6-5-7-16(20)17-11-18(23-15-9-10-26-13-15)21-19(24-17)12-22-25(21)14(2)3/h5-8,11-12,14-15H,4,9-10,13H2,1-3H3,(H,23,24)/t15-/m1/s1
InChIKeyPYCHYVLEZWWWEZ-OAHLLOKOSA-N
XLogP4.28
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Efppea
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3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
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3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
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3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
N-[2-(4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
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N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24954991
N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24955343
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731838
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 151539182) is 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ccccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1.
What is the InChIKey of 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is PYCHYVLEZWWWEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-27-20-8-6-5-7-16(20)17-11-18(23-15-9-10-26-13-15)21-19(24-17)12-22-25(21)14(2)3/h5-8,11-12,14-15H,4,9-10,13H2,1-3H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 366.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 151539182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).