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

C15H21N5O — CID 97405033

IUPAC2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide
SMILESCn1nc(CNC(=O)CC#N)c2c1CN(CC1CC1)CC2
InChIInChI=1S/C15H21N5O/c1-19-14-10-20(9-11-2-3-11)7-5-12(14)13(18-19)8-17-15(21)4-6-16/h11H,2-5,7-10H2,1H3,(H,17,21)
InChIKeyQFSLTYDZTUQMCM-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.72
Rot. Bonds5

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

2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide (PubChem CID 97405033) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide
PubChem CID97405033
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide
SMILESCn1nc(CNC(=O)CC#N)c2c1CN(CC1CC1)CC2
InChIInChI=1S/C15H21N5O/c1-19-14-10-20(9-11-2-3-11)7-5-12(14)13(18-19)8-17-15(21)4-6-16/h11H,2-5,7-10H2,1H3,(H,17,21)
InChIKeyQFSLTYDZTUQMCM-UHFFFAOYSA-N
XLogP0.72
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 97404991
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
3-[[(2-cyanoacetyl)amino]methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
CID 97516885
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 97516891
N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanecarboxamide
CID 47452820
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-ethylpiperidine-4-carboxamide
CID 74239972
N~1~-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N~2~-methyl-L-alaninamide
CID 91838299
2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 118742749
2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 70851755

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide (CID 97405033) is 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide is Cn1nc(CNC(=O)CC#N)c2c1CN(CC1CC1)CC2.
What is the InChIKey of 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide?
The InChIKey is QFSLTYDZTUQMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19-14-10-20(9-11-2-3-11)7-5-12(14)13(18-19)8-17-15(21)4-6-16/h11H,2-5,7-10H2,1H3,(H,17,21).
What are the key properties of 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide?
2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 97405033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).