6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one

C25H24N4O2 — CID 171528373

IUPAC6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCn1cc2c(-c3ccc(CN4Cc5cccnc5C4=O)cc3)ccc(C(C)(C)O)c2n1
InChIInChI=1S/C25H24N4O2/c1-25(2,31)21-11-10-19(20-15-28(3)27-23(20)21)17-8-6-16(7-9-17)13-29-14-18-5-4-12-26-22(18)24(29)30/h4-12,15,31H,13-14H2,1-3H3
InChIKeyVYIIJMCJEBMJID-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.02
Rot. Bonds4

About 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one

6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 171528373) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID171528373
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCn1cc2c(-c3ccc(CN4Cc5cccnc5C4=O)cc3)ccc(C(C)(C)O)c2n1
InChIInChI=1S/C25H24N4O2/c1-25(2,31)21-11-10-19(20-15-28(3)27-23(20)21)17-8-6-16(7-9-17)13-29-14-18-5-4-12-26-22(18)24(29)30/h4-12,15,31H,13-14H2,1-3H3
InChIKeyVYIIJMCJEBMJID-UHFFFAOYSA-N
XLogP4.02
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(azetidin-1-yl)-6-fluoro-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171528244
CID 171528185
CID 171528185
6-[[2-chloro-6-fluoro-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528252
6-[[2-chloro-6-cyclopropyl-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528410
6-[[2-fluoro-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]-6-methoxyphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528417
6-[[2,6-difluoro-4-[2-methyl-7-(1,1,1-trifluoro-2-hydroxybutan-2-yl)indazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528436
6-[[4-[3-amino-4-(2-hydroxypropan-2-yl)-2-(methyliminomethyl)phenyl]-2-fluoro-6-methylphenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171528496
6-[[4-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-4-yl]-2-methylphenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528460
2-[[4-(1,3-dimethylpyrazol-4-yl)phenyl]methyl]-4-[2-fluoro-5-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 90166980
6-[[4-(7-ethoxy-2-methylindazol-4-yl)-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615838
2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol
CID 171528198
7,7-dideuterio-6-[[4-(2,7-dimethylindazol-4-yl)-2-fluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760346

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (CID 171528373) is 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is Cn1cc2c(-c3ccc(CN4Cc5cccnc5C4=O)cc3)ccc(C(C)(C)O)c2n1.
What is the InChIKey of 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is VYIIJMCJEBMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-25(2,31)21-11-10-19(20-15-28(3)27-23(20)21)17-8-6-16(7-9-17)13-29-14-18-5-4-12-26-22(18)24(29)30/h4-12,15,31H,13-14H2,1-3H3.
What are the key properties of 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 412.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 171528373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).