1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C21H25N5O2 — CID 139382555

IUPAC1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4nn(C)cc34)nn2C2CCOCC2)C1
InChIInChI=1S/C21H25N5O2/c1-14(27)25-9-6-20-18(13-25)21(23-26(20)15-7-10-28-11-8-15)16-4-3-5-19-17(16)12-24(2)22-19/h3-5,12,15H,6-11,13H2,1-2H3
InChIKeyGPWNGEMPFLPSCN-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.69
Rot. Bonds2

About 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 139382555) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID139382555
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4nn(C)cc34)nn2C2CCOCC2)C1
InChIInChI=1S/C21H25N5O2/c1-14(27)25-9-6-20-18(13-25)21(23-26(20)15-7-10-28-11-8-15)16-4-3-5-19-17(16)12-24(2)22-19/h3-5,12,15H,6-11,13H2,1-2H3
InChIKeyGPWNGEMPFLPSCN-UHFFFAOYSA-N
XLogP2.69
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 139382555) is 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4nn(C)cc34)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is GPWNGEMPFLPSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14(27)25-9-6-20-18(13-25)21(23-26(20)15-7-10-28-11-8-15)16-4-3-5-19-17(16)12-24(2)22-19/h3-5,12,15H,6-11,13H2,1-2H3.
What are the key properties of 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 379.46 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylindazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 139382555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).