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

C22H21N5O5 — CID 160587471

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2ccc3c(n2)CN(c2cnn(CC4CCC(=O)O4)c2)C3=O)cnc1OC
InChIInChI=1S/C22H21N5O5/c1-30-19-7-13(8-23-21(19)31-2)17-5-4-16-18(25-17)12-27(22(16)29)14-9-24-26(10-14)11-15-3-6-20(28)32-15/h4-5,7-10,15H,3,6,11-12H2,1-2H3
InChIKeyRCOUCBRVMQDSDI-UHFFFAOYSA-N
MW435.44 g/mol
LogP2.22
Rot. Bonds6

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

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 160587471) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID160587471
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2ccc3c(n2)CN(c2cnn(CC4CCC(=O)O4)c2)C3=O)cnc1OC
InChIInChI=1S/C22H21N5O5/c1-30-19-7-13(8-23-21(19)31-2)17-5-4-16-18(25-17)12-27(22(16)29)14-9-24-26(10-14)11-15-3-6-20(28)32-15/h4-5,7-10,15H,3,6,11-12H2,1-2H3
InChIKeyRCOUCBRVMQDSDI-UHFFFAOYSA-N
XLogP2.22
TPSA108.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

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-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-hydroxy-1-(trifluoromethyl)cyclopropyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162589384
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
4-(azetidin-1-yl)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 53327318
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
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
CID 129212873
(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
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
bis(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-[5-(hydroxymethyl)-3-pyridinyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-6-[6-(hydroxymethyl)-3-pyridinyl]-4-methyl-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;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158229460
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162567563
2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-cyclopropyl-1H-pyrazol-3-yl)-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;3-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]propanenitrile;2-[5-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-3-pyridinyl]acetonitrile;2-(5,6-dimethoxy-3-pyridinyl)-6-(1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 161368749
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137128343

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 160587471) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1cc(-c2ccc3c(n2)CN(c2cnn(CC4CCC(=O)O4)c2)C3=O)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is RCOUCBRVMQDSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-30-19-7-13(8-23-21(19)31-2)17-5-4-16-18(25-17)12-27(22(16)29)14-9-24-26(10-14)11-15-3-6-20(28)32-15/h4-5,7-10,15H,3,6,11-12H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 435.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(5-oxooxolan-2-yl)methyl]pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 160587471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).