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

C21H26N4O2 — CID 154640940

IUPAC5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1cccc(Cc2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c1
InChIInChI=1S/C21H26N4O2/c1-14(2)25-21-19(23-16-7-8-27-13-16)11-17(24-20(21)12-22-25)9-15-5-4-6-18(10-15)26-3/h4-6,10-12,14,16H,7-9,13H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyOMTHJPXRLZHPAV-MRXNPFEDSA-N
MW366.47 g/mol
LogP3.81
Rot. Bonds6

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

5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine (PubChem CID 154640940) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
PubChem CID154640940
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1cccc(Cc2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c1
InChIInChI=1S/C21H26N4O2/c1-14(2)25-21-19(23-16-7-8-27-13-16)11-17(24-20(21)12-22-25)9-15-5-4-6-18(10-15)26-3/h4-6,10-12,14,16H,7-9,13H2,1-3H3,(H,23,24)/t16-/m1/s1
InChIKeyOMTHJPXRLZHPAV-MRXNPFEDSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
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-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-6-oxido-1H-pyrazolo[3,4-c]pyridin-6-ium
CID 23647439
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647440
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647443
US10034861, Example 165
CID 132273284
(2S,6S)-10-(2-fluorophenyl)-4-[(6-methoxy-3-pyridinyl)methyl]-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86295354

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine (CID 154640940) is 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine is COc1cccc(Cc2cc(N[C@@H]3CCOC3)c3c(cnn3C(C)C)n2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is OMTHJPXRLZHPAV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)25-21-19(23-16-7-8-27-13-16)11-17(24-20(21)12-22-25)9-15-5-4-6-18(10-15)26-3/h4-6,10-12,14,16H,7-9,13H2,1-3H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine?
5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 366.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 154640940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).