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

C19H23N5O2 — CID 142608414

IUPAC5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C19H23N5O2/c1-12(2)24-18-16(22-13-6-8-26-11-13)9-15(23-17(18)10-21-24)14-5-4-7-20-19(14)25-3/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyDAFCUKHUCRIICD-CYBMUJFWSA-N
MW353.43 g/mol
LogP3.28
Rot. Bonds5

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

5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 142608414) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID142608414
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCOc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C19H23N5O2/c1-12(2)24-18-16(22-13-6-8-26-11-13)9-15(23-17(18)10-21-24)14-5-4-7-20-19(14)25-3/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyDAFCUKHUCRIICD-CYBMUJFWSA-N
XLogP3.28
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
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
CID 11545641
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-[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
CID 16731841
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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 142608414) is 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is COc1ncccc1-c1cc(N[C@@H]2CCOC2)c2c(cnn2C(C)C)n1.
What is the InChIKey of 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is DAFCUKHUCRIICD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)24-18-16(22-13-6-8-26-11-13)9-15(23-17(18)10-21-24)14-5-4-7-20-19(14)25-3/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 353.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-pyridinyl)-N-[(3R)-oxolan-3-yl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 142608414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).