N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

C18H28N6O — CID 53196614

IUPACN-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESCC(C)CCNC(=O)Cn1ncc2c(N3CCC(C)CC3)ncnc21
InChIInChI=1S/C18H28N6O/c1-13(2)4-7-19-16(25)11-24-18-15(10-22-24)17(20-12-21-18)23-8-5-14(3)6-9-23/h10,12-14H,4-9,11H2,1-3H3,(H,19,25)
InChIKeyYFRJTFSEYQYWJR-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.22
Rot. Bonds6

About N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (PubChem CID 53196614) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
PubChem CID53196614
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESCC(C)CCNC(=O)Cn1ncc2c(N3CCC(C)CC3)ncnc21
InChIInChI=1S/C18H28N6O/c1-13(2)4-7-19-16(25)11-24-18-15(10-22-24)17(20-12-21-18)23-8-5-14(3)6-9-23/h10,12-14H,4-9,11H2,1-3H3,(H,19,25)
InChIKeyYFRJTFSEYQYWJR-UHFFFAOYSA-N
XLogP2.22
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (CID 53196614) is N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is CC(C)CCNC(=O)Cn1ncc2c(N3CCC(C)CC3)ncnc21.
What is the InChIKey of N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is YFRJTFSEYQYWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)4-7-19-16(25)11-24-18-15(10-22-24)17(20-12-21-18)23-8-5-14(3)6-9-23/h10,12-14H,4-9,11H2,1-3H3,(H,19,25).
What are the key properties of N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53196614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).