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

C20H21N5O2 — CID 129277684

IUPAC2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3ccc4[nH]ncc4c3)CC1)CNC2=O
InChIInChI=1S/C20H21N5O2/c1-12-8-16-18(11-21-20(16)26)23-19(12)25-6-4-14(5-7-25)27-15-2-3-17-13(9-15)10-22-24-17/h2-3,8-10,14H,4-7,11H2,1H3,(H,21,26)(H,22,24)
InChIKeyXWWGRLQDLMCATM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.56
Rot. Bonds3

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

2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277684) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277684
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3ccc4[nH]ncc4c3)CC1)CNC2=O
InChIInChI=1S/C20H21N5O2/c1-12-8-16-18(11-21-20(16)26)23-19(12)25-6-4-14(5-7-25)27-15-2-3-17-13(9-15)10-22-24-17/h2-3,8-10,14H,4-7,11H2,1H3,(H,21,26)(H,22,24)
InChIKeyXWWGRLQDLMCATM-UHFFFAOYSA-N
XLogP2.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277684) is 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(Oc3ccc4[nH]ncc4c3)CC1)CNC2=O.
What is the InChIKey of 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is XWWGRLQDLMCATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-8-16-18(11-21-20(16)26)23-19(12)25-6-4-14(5-7-25)27-15-2-3-17-13(9-15)10-22-24-17/h2-3,8-10,14H,4-7,11H2,1H3,(H,21,26)(H,22,24).
What are the key properties of 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 363.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indazol-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).