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

C16H28N4O2 — CID 97405045

IUPAC1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1
InChIInChI=1S/C16H28N4O2/c1-6-22-11-16(21)19-8-7-13-14(9-18(4)5)17-20(12(2)3)15(13)10-19/h12H,6-11H2,1-5H3
InChIKeyRTFYYKGLRCKZNL-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.45
Rot. Bonds6

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

1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone (PubChem CID 97405045) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone
PubChem CID97405045
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1
InChIInChI=1S/C16H28N4O2/c1-6-22-11-16(21)19-8-7-13-14(9-18(4)5)17-20(12(2)3)15(13)10-19/h12H,6-11H2,1-5H3
InChIKeyRTFYYKGLRCKZNL-UHFFFAOYSA-N
XLogP1.45
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone (CID 97405045) is 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone is CCOCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone?
The InChIKey is RTFYYKGLRCKZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-6-22-11-16(21)19-8-7-13-14(9-18(4)5)17-20(12(2)3)15(13)10-19/h12H,6-11H2,1-5H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone?
1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone has a molecular weight of 308.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-ethoxyethanone is sourced from PubChem (CID 97405045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).