(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

C19H19N5O3 — CID 131995080

IUPAC(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ncc(-c2ccc3c(n2)[C@H](C)N(c2cn[nH]c2)C3=O)cc1OC
InChIInChI=1S/C19H19N5O3/c1-4-27-18-16(26-3)7-12(8-20-18)15-6-5-14-17(23-15)11(2)24(19(14)25)13-9-21-22-10-13/h5-11H,4H2,1-3H3,(H,21,22)/t11-/m0/s1
InChIKeyIKXXRLMESIDQJX-NSHDSACASA-N
MW365.39 g/mol
LogP3.00
Rot. Bonds5

About (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one

(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 131995080) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID131995080
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ncc(-c2ccc3c(n2)[C@H](C)N(c2cn[nH]c2)C3=O)cc1OC
InChIInChI=1S/C19H19N5O3/c1-4-27-18-16(26-3)7-12(8-20-18)15-6-5-14-17(23-15)11(2)24(19(14)25)13-9-21-22-10-13/h5-11H,4H2,1-3H3,(H,21,22)/t11-/m0/s1
InChIKeyIKXXRLMESIDQJX-NSHDSACASA-N
XLogP3.00
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

(7R)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 155106893
2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 66743331
6-(2-but-3-yn-2-yl-4-pyridinyl)-2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88573822
2-(6-ethoxy-5-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995079
7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995240
(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-(2-ethenoxyethoxy)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 155106743
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-7-(2-methoxyethoxy)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methoxy-N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid;2-methyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 159855442
6-[1-(2,2-difluoroethyl)-2-oxo-4-pyridinyl]-2-(5,6-dimethoxy-3-pyridinyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88570845
5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-(1H-pyrazol-4-yl)-3H-isoindol-1-one
CID 53327471
2-(2,4-dimethoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(methoxymethyl)pyrazol-4-yl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-methoxy-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;1-[3-[2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]phenyl]cyclopropane-1-carbonitrile;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(5-methylthiophen-2-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridin-3-one;2-(4-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158803811
3-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]propanenitrile
CID 53327579
2-(4-methoxy-3-pyridinyl)-4-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 155106854

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 131995080) is (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one is CCOc1ncc(-c2ccc3c(n2)[C@H](C)N(c2cn[nH]c2)C3=O)cc1OC.
What is the InChIKey of (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is IKXXRLMESIDQJX-NSHDSACASA-N. The full InChI is InChI=1S/C19H19N5O3/c1-4-27-18-16(26-3)7-12(8-20-18)15-6-5-14-17(23-15)11(2)24(19(14)25)13-9-21-22-10-13/h5-11H,4H2,1-3H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one?
(7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 365.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 131995080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).