3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide

C21H29N5O3 — CID 91891258

IUPAC3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide
SMILESCc1cn2nc(C(=O)N3CCC(NC(=O)CCC4CCCC4)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C21H29N5O3/c1-14-13-26-18(20(28)22-14)12-17(24-26)21(29)25-10-8-16(9-11-25)23-19(27)7-6-15-4-2-3-5-15/h12-13,15-16H,2-11H2,1H3,(H,22,28)(H,23,27)
InChIKeyHKRBKDGNQWYNHZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.02
Rot. Bonds5

About 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide

3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 91891258) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID91891258
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide
SMILESCc1cn2nc(C(=O)N3CCC(NC(=O)CCC4CCCC4)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C21H29N5O3/c1-14-13-26-18(20(28)22-14)12-17(24-26)21(29)25-10-8-16(9-11-25)23-19(27)7-6-15-4-2-3-5-15/h12-13,15-16H,2-11H2,1H3,(H,22,28)(H,23,27)
InChIKeyHKRBKDGNQWYNHZ-UHFFFAOYSA-N
XLogP2.02
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide (CID 91891258) is 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide is Cc1cn2nc(C(=O)N3CCC(NC(=O)CCC4CCCC4)CC3)cc2c(=O)[nH]1.
What is the InChIKey of 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is HKRBKDGNQWYNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14-13-26-18(20(28)22-14)12-17(24-26)21(29)25-10-8-16(9-11-25)23-19(27)7-6-15-4-2-3-5-15/h12-13,15-16H,2-11H2,1H3,(H,22,28)(H,23,27).
What are the key properties of 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide?
3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 399.50 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91891258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).