8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

C21H29N5O2 — CID 95081155

About 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 95081155) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

• Compound Name: 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
• PubChem CID: 95081155
• Molecular Formula: C21H29N5O2
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.23
• IUPAC Name: 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
• SMILES: C[C@H]1CCCCN1CCNC(=O)c1cnn2c3c(cnc12)C(=O)CC(C)(C)C3
• InChI: InChI=1S/C21H29N5O2/c1-14-6-4-5-8-25(14)9-7-22-20(28)16-13-24-26-17-10-21(2,3)11-18(27)15(17)12-23-19(16)26/h12-14H,4-11H2,1-3H3,(H,22,28)/t14-/m0/s1
• InChIKey: VUDSNSHDFPCZGH-AWEZNQCLSA-N
• XLogP: 2.49
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?

The IUPAC name of 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 95081155) is 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.

What is the SMILES notation for 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?

The canonical SMILES for 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is C[C@H]1CCCCN1CCNC(=O)c1cnn2c3c(cnc12)C(=O)CC(C)(C)C3.

What is the InChIKey of 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?

The InChIKey is VUDSNSHDFPCZGH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14-6-4-5-8-25(14)9-7-22-20(28)16-13-24-26-17-10-21(2,3)11-18(27)15(17)12-23-19(16)26/h12-14H,4-11H2,1-3H3,(H,22,28)/t14-/m0/s1.

What are the key properties of 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?

8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 95081155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).