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

C16H27N5O2 — CID 97410117

IUPACN-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1
InChIInChI=1S/C16H27N5O2/c1-11(2)21-15-10-20(16(23)8-17-12(3)22)7-6-13(15)14(18-21)9-19(4)5/h11H,6-10H2,1-5H3,(H,17,22)
InChIKeyGYQBTEGIZCFOHB-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.55
Rot. Bonds5

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

N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide (PubChem CID 97410117) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
PubChem CID97410117
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1
InChIInChI=1S/C16H27N5O2/c1-11(2)21-15-10-20(16(23)8-17-12(3)22)7-6-13(15)14(18-21)9-19(4)5/h11H,6-10H2,1-5H3,(H,17,22)
InChIKeyGYQBTEGIZCFOHB-UHFFFAOYSA-N
XLogP0.55
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide (CID 97410117) is N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCc2c(CN(C)C)nn(C(C)C)c2C1.
What is the InChIKey of N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide?
The InChIKey is GYQBTEGIZCFOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11(2)21-15-10-20(16(23)8-17-12(3)22)7-6-13(15)14(18-21)9-19(4)5/h11H,6-10H2,1-5H3,(H,17,22).
What are the key properties of N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide?
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 97410117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).