1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one

C21H26N6O2 — CID 91909461

IUPAC1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCc2c(c(-c3nncn3C(C)C)nn2C)C1
InChIInChI=1S/C21H26N6O2/c1-14(2)27-13-22-23-20(27)19-17-12-26(11-10-18(17)25(4)24-19)21(28)15(3)29-16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3
InChIKeyIWBQBZPPDBYHEG-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.61
Rot. Bonds5

About 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one

1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one (PubChem CID 91909461) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one
PubChem CID91909461
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCc2c(c(-c3nncn3C(C)C)nn2C)C1
InChIInChI=1S/C21H26N6O2/c1-14(2)27-13-22-23-20(27)19-17-12-26(11-10-18(17)25(4)24-19)21(28)15(3)29-16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3
InChIKeyIWBQBZPPDBYHEG-UHFFFAOYSA-N
XLogP2.61
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one (CID 91909461) is 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCc2c(c(-c3nncn3C(C)C)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one?
The InChIKey is IWBQBZPPDBYHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14(2)27-13-22-23-20(27)19-17-12-26(11-10-18(17)25(4)24-19)21(28)15(3)29-16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3.
What are the key properties of 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one?
1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one has a molecular weight of 394.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 91909461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).