N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

C18H26N4O2 — CID 46395086

IUPACN-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCCn1nc(C)c2ccn(CC(=O)NC3CCCCCC3)c(=O)c21
InChIInChI=1S/C18H26N4O2/c1-3-22-17-15(13(2)20-22)10-11-21(18(17)24)12-16(23)19-14-8-6-4-5-7-9-14/h10-11,14H,3-9,12H2,1-2H3,(H,19,23)
InChIKeyPNTGKZNMHXONQF-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.37
Rot. Bonds4

About N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (PubChem CID 46395086) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
PubChem CID46395086
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCCn1nc(C)c2ccn(CC(=O)NC3CCCCCC3)c(=O)c21
InChIInChI=1S/C18H26N4O2/c1-3-22-17-15(13(2)20-22)10-11-21(18(17)24)12-16(23)19-14-8-6-4-5-7-9-14/h10-11,14H,3-9,12H2,1-2H3,(H,19,23)
InChIKeyPNTGKZNMHXONQF-UHFFFAOYSA-N
XLogP2.37
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-ethyl-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418177
3-N-methyl-1-[(1S)-1-phenylethyl]-5-N-propylpyrazole-3,5-dicarboxamide
CID 146822183
N-Cycloheptyl-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}butanamide
CID 20919744
N-Cycloheptyl-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}propanamide
CID 20919675
6-methyl-4-oxo-N-phenethyl-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 91891198
6-methyl-4-oxo-N-(3-phenylpropyl)-4,5-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 91891201
N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395087
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide
CID 46395094
N-cyclopropyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395097
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 46395132
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46395165
N-[(2,4-difluorophenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395173

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (CID 46395086) is N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is CCn1nc(C)c2ccn(CC(=O)NC3CCCCCC3)c(=O)c21.
What is the InChIKey of N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The InChIKey is PNTGKZNMHXONQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-22-17-15(13(2)20-22)10-11-21(18(17)24)12-16(23)19-14-8-6-4-5-7-9-14/h10-11,14H,3-9,12H2,1-2H3,(H,19,23).
What are the key properties of N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 46395086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).