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

C28H28FN5O2 — CID 171528244

IUPAC6-[[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
SMILESCn1cc2c(-c3cc(F)c(CN4Cc5cccnc5C4=O)c(N4CCC4)c3)ccc(C(C)(C)O)c2n1
InChIInChI=1S/C28H28FN5O2/c1-28(2,36)22-8-7-19(20-15-32(3)31-26(20)22)18-12-23(29)21(24(13-18)33-10-5-11-33)16-34-14-17-6-4-9-30-25(17)27(34)35/h4,6-9,12-13,15,36H,5,10-11,14,16H2,1-3H3
InChIKeyDGHLYYOHQNPEBK-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.37
Rot. Bonds5

About 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

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 (PubChem CID 171528244) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID171528244
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name6-[[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
SMILESCn1cc2c(-c3cc(F)c(CN4Cc5cccnc5C4=O)c(N4CCC4)c3)ccc(C(C)(C)O)c2n1
InChIInChI=1S/C28H28FN5O2/c1-28(2,36)22-8-7-19(20-15-32(3)31-26(20)22)18-12-23(29)21(24(13-18)33-10-5-11-33)16-34-14-17-6-4-9-30-25(17)27(34)35/h4,6-9,12-13,15,36H,5,10-11,14,16H2,1-3H3
InChIKeyDGHLYYOHQNPEBK-UHFFFAOYSA-N
XLogP4.37
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

CID 171528185
CID 171528185
6-[[4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171528373
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-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-[[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-[[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-(7-ethoxy-2-methylindazol-4-yl)-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615838
6-[[2,6-difluoro-4-[7-(3-hydroxyoxolan-3-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528367
6-[[2-chloro-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615886
7,7-dideuterio-6-[[2-fluoro-6-(2-methylpropoxy)-4-[2-methyl-7-(trifluoromethyl)indazol-4-yl]phenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760359
2-[4-(3-cyclopropyl-5-fluoro-4-methylphenyl)-2-methylindazol-7-yl]propan-2-ol
CID 171528198

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc2c(-c3cc(F)c(CN4Cc5cccnc5C4=O)c(N4CCC4)c3)ccc(C(C)(C)O)c2n1.
What is the InChIKey of 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?
The InChIKey is DGHLYYOHQNPEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-28(2,36)22-8-7-19(20-15-32(3)31-26(20)22)18-12-23(29)21(24(13-18)33-10-5-11-33)16-34-14-17-6-4-9-30-25(17)27(34)35/h4,6-9,12-13,15,36H,5,10-11,14,16H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 485.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171528244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).