(4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone

C18H20ClN7O — CID 135198759

About (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone

(4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone (PubChem CID 135198759) has the molecular formula C18H20ClN7O and a molecular weight of 385.86 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone.

Molecular Properties

• Compound Name: (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone
• PubChem CID: 135198759
• Molecular Formula: C18H20ClN7O
• Molecular Weight: 385.86 g/mol
• Exact Mass: 385.14
• IUPAC Name: (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone
• SMILES: Cc1cc(Nc2nc(C(=O)N3CCC(N)CC3)nc3ccc(Cl)cc23)n[nH]1
• InChI: InChI=1S/C18H20ClN7O/c1-10-8-15(25-24-10)22-16-13-9-11(19)2-3-14(13)21-17(23-16)18(27)26-6-4-12(20)5-7-26/h2-3,8-9,12H,4-7,20H2,1H3,(H2,21,22,23,24,25)
• InChIKey: UTFKJYFRHSSYPD-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 112.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.86
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone?

The IUPAC name of (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone (CID 135198759) is (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone.

What is the SMILES notation for (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone?

The canonical SMILES for (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone is Cc1cc(Nc2nc(C(=O)N3CCC(N)CC3)nc3ccc(Cl)cc23)n[nH]1.

What is the InChIKey of (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone?

The InChIKey is UTFKJYFRHSSYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O/c1-10-8-15(25-24-10)22-16-13-9-11(19)2-3-14(13)21-17(23-16)18(27)26-6-4-12(20)5-7-26/h2-3,8-9,12H,4-7,20H2,1H3,(H2,21,22,23,24,25).

What are the key properties of (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone?

(4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone has a molecular weight of 385.86 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminopiperidin-1-yl)-[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanone is sourced from PubChem (CID 135198759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).