2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide

C24H29N5O3 — CID 138997643

IUPAC2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
SMILESCCC(C(=O)N1CCC(NC(=O)Cc2c(C)nc3cc[nH]n3c2=O)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O3/c1-3-19(17-7-5-4-6-8-17)23(31)28-13-10-18(11-14-28)27-22(30)15-20-16(2)26-21-9-12-25-29(21)24(20)32/h4-9,12,18-19,25H,3,10-11,13-15H2,1-2H3,(H,27,30)
InChIKeyYXRPOFUTMOCMPH-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.17
Rot. Bonds6

About 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide

2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide (PubChem CID 138997643) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
PubChem CID138997643
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
SMILESCCC(C(=O)N1CCC(NC(=O)Cc2c(C)nc3cc[nH]n3c2=O)CC1)c1ccccc1
InChIInChI=1S/C24H29N5O3/c1-3-19(17-7-5-4-6-8-17)23(31)28-13-10-18(11-14-28)27-22(30)15-20-16(2)26-21-9-12-25-29(21)24(20)32/h4-9,12,18-19,25H,3,10-11,13-15H2,1-2H3,(H,27,30)
InChIKeyYXRPOFUTMOCMPH-UHFFFAOYSA-N
XLogP2.17
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide (CID 138997643) is 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide is CCC(C(=O)N1CCC(NC(=O)Cc2c(C)nc3cc[nH]n3c2=O)CC1)c1ccccc1.
What is the InChIKey of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide?
The InChIKey is YXRPOFUTMOCMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-19(17-7-5-4-6-8-17)23(31)28-13-10-18(11-14-28)27-22(30)15-20-16(2)26-21-9-12-25-29(21)24(20)32/h4-9,12,18-19,25H,3,10-11,13-15H2,1-2H3,(H,27,30).
What are the key properties of 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide?
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 138997643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).