2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C22H25N5O3 — CID 129277766

IUPAC2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3ccc4c(cnn4CCO)c3)CC1)CNC2=O
InChIInChI=1S/C22H25N5O3/c1-14-10-18-19(13-23-22(18)29)25-21(14)26-6-4-16(5-7-26)30-17-2-3-20-15(11-17)12-24-27(20)8-9-28/h2-3,10-12,16,28H,4-9,13H2,1H3,(H,23,29)
InChIKeyLKDHCIWMRFCSMA-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.02
Rot. Bonds5

About 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277766) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277766
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3ccc4c(cnn4CCO)c3)CC1)CNC2=O
InChIInChI=1S/C22H25N5O3/c1-14-10-18-19(13-23-22(18)29)25-21(14)26-6-4-16(5-7-26)30-17-2-3-20-15(11-17)12-24-27(20)8-9-28/h2-3,10-12,16,28H,4-9,13H2,1H3,(H,23,29)
InChIKeyLKDHCIWMRFCSMA-UHFFFAOYSA-N
XLogP2.02
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277766) is 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(Oc3ccc4c(cnn4CCO)c3)CC1)CNC2=O.
What is the InChIKey of 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is LKDHCIWMRFCSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-10-18-19(13-23-22(18)29)25-21(14)26-6-4-16(5-7-26)30-17-2-3-20-15(11-17)12-24-27(20)8-9-28/h2-3,10-12,16,28H,4-9,13H2,1H3,(H,23,29).
What are the key properties of 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 407.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-hydroxyethyl)indazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).