N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide

C24H36N6O — CID 71223023

About N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide

N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide (PubChem CID 71223023) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
• PubChem CID: 71223023
• Molecular Formula: C24H36N6O
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.30
• IUPAC Name: N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
• SMILES: CC(C)N(CCn1ncc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)ncnc21)C(C)C
• InChI: InChI=1S/C24H36N6O/c1-15(2)29(16(3)4)5-6-30-22-20(13-27-30)21(25-14-26-22)28-23(31)24-10-17-7-18(11-24)9-19(8-17)12-24/h13-19H,5-12H2,1-4H3,(H,25,26,28,31)
• InChIKey: DTWXCKJWLVQYAI-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?

The IUPAC name of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide (CID 71223023) is N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide.

What is the SMILES notation for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?

The canonical SMILES for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide is CC(C)N(CCn1ncc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)ncnc21)C(C)C.

What is the InChIKey of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?

The InChIKey is DTWXCKJWLVQYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-15(2)29(16(3)4)5-6-30-22-20(13-27-30)21(25-14-26-22)28-23(31)24-10-17-7-18(11-24)9-19(8-17)12-24/h13-19H,5-12H2,1-4H3,(H,25,26,28,31).

What are the key properties of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?

N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 71223023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).