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

C16H22N4O2 — CID 46395087

IUPACN-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCCn1nc(C)c2ccn(CC(=O)NC3CCCC3)c(=O)c21
InChIInChI=1S/C16H22N4O2/c1-3-20-15-13(11(2)18-20)8-9-19(16(15)22)10-14(21)17-12-6-4-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)
InChIKeyHUALRSVFKSNKLM-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.59
Rot. Bonds4

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

N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (PubChem CID 46395087) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
PubChem CID46395087
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCCn1nc(C)c2ccn(CC(=O)NC3CCCC3)c(=O)c21
InChIInChI=1S/C16H22N4O2/c1-3-20-15-13(11(2)18-20)8-9-19(16(15)22)10-14(21)17-12-6-4-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,21)
InChIKeyHUALRSVFKSNKLM-UHFFFAOYSA-N
XLogP1.59
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (CID 46395087) is N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is CCn1nc(C)c2ccn(CC(=O)NC3CCCC3)c(=O)c21.
What is the InChIKey of N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The InChIKey is HUALRSVFKSNKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-20-15-13(11(2)18-20)8-9-19(16(15)22)10-14(21)17-12-6-4-5-7-12/h8-9,12H,3-7,10H2,1-2H3,(H,17,21).
What are the key properties of N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 46395087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).