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

C17H27N7O — CID 53196444

IUPACN-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESCC(C)CCNC(=O)Cn1ncc2c(N3CCN(C)CC3)ncnc21
InChIInChI=1S/C17H27N7O/c1-13(2)4-5-18-15(25)11-24-17-14(10-21-24)16(19-12-20-17)23-8-6-22(3)7-9-23/h10,12-13H,4-9,11H2,1-3H3,(H,18,25)
InChIKeyKMGKYHNCNBGKSX-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.74
Rot. Bonds6

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

N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (PubChem CID 53196444) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
PubChem CID53196444
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC NameN-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESCC(C)CCNC(=O)Cn1ncc2c(N3CCN(C)CC3)ncnc21
InChIInChI=1S/C17H27N7O/c1-13(2)4-5-18-15(25)11-24-17-14(10-21-24)16(19-12-20-17)23-8-6-22(3)7-9-23/h10,12-13H,4-9,11H2,1-3H3,(H,18,25)
InChIKeyKMGKYHNCNBGKSX-UHFFFAOYSA-N
XLogP0.74
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196614
N-(2-methoxyethyl)-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196333
N-butan-2-yl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196292
3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 27545812
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196233
N-[(4-fluorophenyl)methyl]-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196338
N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196299
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
2-phenoxy-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42099773
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18150374
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
N-cyclopropyl-2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196550

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (CID 53196444) is N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is CC(C)CCNC(=O)Cn1ncc2c(N3CCN(C)CC3)ncnc21.
What is the InChIKey of N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is KMGKYHNCNBGKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-13(2)4-5-18-15(25)11-24-17-14(10-21-24)16(19-12-20-17)23-8-6-22(3)7-9-23/h10,12-13H,4-9,11H2,1-3H3,(H,18,25).
What are the key properties of N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53196444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).