[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C24H22ClN7O — CID 124952108

About [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 124952108) has the molecular formula C24H22ClN7O and a molecular weight of 459.94 g/mol. Its IUPAC name is [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• PubChem CID: 124952108
• Molecular Formula: C24H22ClN7O
• Molecular Weight: 459.94 g/mol
• Exact Mass: 459.16
• IUPAC Name: [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
• SMILES: Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)n1
• InChI: InChI=1S/C24H22ClN7O/c25-18-8-5-16(6-9-18)19-15-28-24(26)30-22(19)20-4-1-2-12-31(20)23(33)17-7-10-21(27-14-17)32-13-3-11-29-32/h3,5-11,13-15,20H,1-2,4,12H2,(H2,26,28,30)/t20-/m0/s1
• InChIKey: DLYSAHRNEOFTCW-FQEVSTJZSA-N
• XLogP: 4.33
• TPSA: 102.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.94
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The IUPAC name of [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 124952108) is [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

What is the SMILES notation for [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The canonical SMILES for [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)n1.

What is the InChIKey of [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

The InChIKey is DLYSAHRNEOFTCW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22ClN7O/c25-18-8-5-16(6-9-18)19-15-28-24(26)30-22(19)20-4-1-2-12-31(20)23(33)17-7-10-21(27-14-17)32-13-3-11-29-32/h3,5-11,13-15,20H,1-2,4,12H2,(H2,26,28,30)/t20-/m0/s1.

What are the key properties of [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?

[(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 459.94 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 124952108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).