5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine

C19H22N4O — CID 170506179

IUPAC5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
SMILESCOc1cc(-c2cc(C)c3c(cnn3C)n2)ccc1N1CCCC1
InChIInChI=1S/C19H22N4O/c1-13-10-15(21-16-12-20-22(2)19(13)16)14-6-7-17(18(11-14)24-3)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyMKPGCURXBUMSRG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.55
Rot. Bonds3

About 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine

5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine (PubChem CID 170506179) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
PubChem CID170506179
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
SMILESCOc1cc(-c2cc(C)c3c(cnn3C)n2)ccc1N1CCCC1
InChIInChI=1S/C19H22N4O/c1-13-10-15(21-16-12-20-22(2)19(13)16)14-6-7-17(18(11-14)24-3)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyMKPGCURXBUMSRG-UHFFFAOYSA-N
XLogP3.55
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
CID 169421295
2-[6-(azetidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-4-pyrrolidin-1-ylquinoline
CID 177174184
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
2,4-diamino-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
CID 169397288
1-(3-methoxy-4-pyrrolidin-1-ylphenyl)-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170503166
3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one
CID 10852827
4-methoxy-3-piperidin-1-ylpyridine
CID 152705375
7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole
CID 169414553
4-chloro-6-fluoro-7-methoxy-2-(6-pyrrolidin-1-yl-3-pyridinyl)quinoline
CID 177174040
3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one
CID 58254596
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine (CID 170506179) is 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine is COc1cc(-c2cc(C)c3c(cnn3C)n2)ccc1N1CCCC1.
What is the InChIKey of 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine?
The InChIKey is MKPGCURXBUMSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-10-15(21-16-12-20-22(2)19(13)16)14-6-7-17(18(11-14)24-3)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine?
5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine has a molecular weight of 322.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 170506179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).