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

C22H26N4O2 — CID 139382486

IUPAC1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-n3cc(C)c4ccccc43)nn2C2CCOCC2)C1
InChIInChI=1S/C22H26N4O2/c1-15-13-25(20-6-4-3-5-18(15)20)22-19-14-24(16(2)27)10-7-21(19)26(23-22)17-8-11-28-12-9-17/h3-6,13,17H,7-12,14H2,1-2H3
InChIKeyMFAGAKXKGPFUHX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.39
Rot. Bonds2

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

1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 139382486) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID139382486
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-n3cc(C)c4ccccc43)nn2C2CCOCC2)C1
InChIInChI=1S/C22H26N4O2/c1-15-13-25(20-6-4-3-5-18(15)20)22-19-14-24(16(2)27)10-7-21(19)26(23-22)17-8-11-28-12-9-17/h3-6,13,17H,7-12,14H2,1-2H3
InChIKeyMFAGAKXKGPFUHX-UHFFFAOYSA-N
XLogP3.39
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 139382486) is 1-[3-(3-methylindol-1-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-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-n3cc(C)c4ccccc43)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is MFAGAKXKGPFUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-13-25(20-6-4-3-5-18(15)20)22-19-14-24(16(2)27)10-7-21(19)26(23-22)17-8-11-28-12-9-17/h3-6,13,17H,7-12,14H2,1-2H3.
What are the key properties of 1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 378.48 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylindol-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 139382486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).