2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide

C15H22N4O2 — CID 136896811

IUPAC2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide
SMILESC[C@H]1Cc2c(NC(=O)CC3CCCC3)nn(C)c2NC1=O
InChIInChI=1S/C15H22N4O2/c1-9-7-11-13(18-19(2)14(11)17-15(9)21)16-12(20)8-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,17,21)(H,16,18,20)/t9-/m0/s1
InChIKeyLYTZNHBQPJLOPJ-VIFPVBQESA-N
MW290.37 g/mol
LogP2.07
Rot. Bonds3

About 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide

2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide (PubChem CID 136896811) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide
PubChem CID136896811
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide
SMILESC[C@H]1Cc2c(NC(=O)CC3CCCC3)nn(C)c2NC1=O
InChIInChI=1S/C15H22N4O2/c1-9-7-11-13(18-19(2)14(11)17-15(9)21)16-12(20)8-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,17,21)(H,16,18,20)/t9-/m0/s1
InChIKeyLYTZNHBQPJLOPJ-VIFPVBQESA-N
XLogP2.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide (CID 136896811) is 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide is C[C@H]1Cc2c(NC(=O)CC3CCCC3)nn(C)c2NC1=O.
What is the InChIKey of 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide?
The InChIKey is LYTZNHBQPJLOPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9-7-11-13(18-19(2)14(11)17-15(9)21)16-12(20)8-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,17,21)(H,16,18,20)/t9-/m0/s1.
What are the key properties of 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide?
2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(5S)-1,5-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 136896811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).