N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

C16H22N4O2 — CID 46395180

IUPACN-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)NC3CCCCC3)ccc12
InChIInChI=1S/C16H22N4O2/c1-11-13-8-9-20(16(22)15(13)19(2)18-11)10-14(21)17-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)
InChIKeyDLUBHMIBABPDAI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.49
Rot. Bonds3

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

N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (PubChem CID 46395180) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
PubChem CID46395180
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)NC3CCCCC3)ccc12
InChIInChI=1S/C16H22N4O2/c1-11-13-8-9-20(16(22)15(13)19(2)18-11)10-14(21)17-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)
InChIKeyDLUBHMIBABPDAI-UHFFFAOYSA-N
XLogP1.49
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (CID 46395180) is N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is Cc1nn(C)c2c(=O)n(CC(=O)NC3CCCCC3)ccc12.
What is the InChIKey of N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The InChIKey is DLUBHMIBABPDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-13-8-9-20(16(22)15(13)19(2)18-11)10-14(21)17-12-6-4-3-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,21).
What are the key properties of N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 46395180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).