N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide

C19H30N6O — CID 56908304

IUPACN-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)CC1
InChIInChI=1S/C19H30N6O/c1-13(26)20-9-6-14-7-10-25(11-8-14)17-15-12-21-24(5)16(15)22-18(23-17)19(2,3)4/h12,14H,6-11H2,1-5H3,(H,20,26)
InChIKeyNYPPWBRSGHPJJP-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.40
Rot. Bonds4

About N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide

N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide (PubChem CID 56908304) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
PubChem CID56908304
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)CC1
InChIInChI=1S/C19H30N6O/c1-13(26)20-9-6-14-7-10-25(11-8-14)17-15-12-21-24(5)16(15)22-18(23-17)19(2,3)4/h12,14H,6-11H2,1-5H3,(H,20,26)
InChIKeyNYPPWBRSGHPJJP-UHFFFAOYSA-N
XLogP2.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide (CID 56908304) is N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide is CC(=O)NCCC1CCN(c2nc(C(C)(C)C)nc3c2cnn3C)CC1.
What is the InChIKey of N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is NYPPWBRSGHPJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-13(26)20-9-6-14-7-10-25(11-8-14)17-15-12-21-24(5)16(15)22-18(23-17)19(2,3)4/h12,14H,6-11H2,1-5H3,(H,20,26).
What are the key properties of N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide?
N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 56908304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).