(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

C22H27N5O4 — CID 134423683

IUPAC(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2cc(C)c3c(n2)[C@@H](C)N(c2cnn(C[C@@H](C)O)c2)C3O)cnc1OC
InChIInChI=1S/C22H27N5O4/c1-12-6-17(15-7-18(30-4)21(31-5)23-8-15)25-20-14(3)27(22(29)19(12)20)16-9-24-26(11-16)10-13(2)28/h6-9,11,13-14,22,28-29H,10H2,1-5H3/t13-,14-,22?/m1/s1
InChIKeyCWVQQRGRLXVLNS-PMBFKINQSA-N
MW425.49 g/mol
LogP2.62
Rot. Bonds6

About (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol (PubChem CID 134423683) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
PubChem CID134423683
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2cc(C)c3c(n2)[C@@H](C)N(c2cnn(C[C@@H](C)O)c2)C3O)cnc1OC
InChIInChI=1S/C22H27N5O4/c1-12-6-17(15-7-18(30-4)21(31-5)23-8-15)25-20-14(3)27(22(29)19(12)20)16-9-24-26(11-16)10-13(2)28/h6-9,11,13-14,22,28-29H,10H2,1-5H3/t13-,14-,22?/m1/s1
InChIKeyCWVQQRGRLXVLNS-PMBFKINQSA-N
XLogP2.62
TPSA105.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
(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
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
N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide
CID 88570954
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
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)pyrrolo[3,4-b]pyridin-5-ol
CID 137099852
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
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[2-(5-methylpyrazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137167251
3-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]propanenitrile
CID 53327579
(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-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137095258
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137079102

Frequently Asked Questions

What is the IUPAC name of (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol (CID 134423683) is (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2cc(C)c3c(n2)[C@@H](C)N(c2cnn(C[C@@H](C)O)c2)C3O)cnc1OC.
What is the InChIKey of (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is CWVQQRGRLXVLNS-PMBFKINQSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-12-6-17(15-7-18(30-4)21(31-5)23-8-15)25-20-14(3)27(22(29)19(12)20)16-9-24-26(11-16)10-13(2)28/h6-9,11,13-14,22,28-29H,10H2,1-5H3/t13-,14-,22?/m1/s1.
What are the key properties of (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 425.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 134423683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).