2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide

C18H29N7O — CID 71226049

IUPAC2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCN1CCN(CCCn2ncc3c(NC(=O)C(C)(C)C)ncnc32)CC1
InChIInChI=1S/C18H29N7O/c1-18(2,3)17(26)22-15-14-12-21-25(16(14)20-13-19-15)7-5-6-24-10-8-23(4)9-11-24/h12-13H,5-11H2,1-4H3,(H,19,20,22,26)
InChIKeyXYPJEQBPNWRANW-UHFFFAOYSA-N
MW359.48 g/mol
LogP1.45
Rot. Bonds5

About 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide

2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (PubChem CID 71226049) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
PubChem CID71226049
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
SMILESCN1CCN(CCCn2ncc3c(NC(=O)C(C)(C)C)ncnc32)CC1
InChIInChI=1S/C18H29N7O/c1-18(2,3)17(26)22-15-14-12-21-25(16(14)20-13-19-15)7-5-6-24-10-8-23(4)9-11-24/h12-13H,5-11H2,1-4H3,(H,19,20,22,26)
InChIKeyXYPJEQBPNWRANW-UHFFFAOYSA-N
XLogP1.45
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (CID 71226049) is 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is CN1CCN(CCCn2ncc3c(NC(=O)C(C)(C)C)ncnc32)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
The InChIKey is XYPJEQBPNWRANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-18(2,3)17(26)22-15-14-12-21-25(16(14)20-13-19-15)7-5-6-24-10-8-23(4)9-11-24/h12-13H,5-11H2,1-4H3,(H,19,20,22,26).
What are the key properties of 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide has a molecular weight of 359.48 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 71226049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).