N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide

C23H21ClN6O — CID 158503970

About N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide

N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 158503970) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
• PubChem CID: 158503970
• Molecular Formula: C23H21ClN6O
• Molecular Weight: 432.92 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
• SMILES: Cn1cc(Cc2ncc(-c3ccc(CC(=O)NCc4ccc(Cl)cn4)cc3)cn2)cn1
• InChI: InChI=1S/C23H21ClN6O/c1-30-15-17(10-29-30)8-22-26-11-19(12-27-22)18-4-2-16(3-5-18)9-23(31)28-14-21-7-6-20(24)13-25-21/h2-7,10-13,15H,8-9,14H2,1H3,(H,28,31)
• InChIKey: HKFZPHBRQOLILF-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 85.59 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	432.92
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?

The IUPAC name of N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide (CID 158503970) is N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide.

What is the SMILES notation for N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?

The canonical SMILES for N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide is Cn1cc(Cc2ncc(-c3ccc(CC(=O)NCc4ccc(Cl)cn4)cc3)cn2)cn1.

What is the InChIKey of N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?

The InChIKey is HKFZPHBRQOLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O/c1-30-15-17(10-29-30)8-22-26-11-19(12-27-22)18-4-2-16(3-5-18)9-23(31)28-14-21-7-6-20(24)13-25-21/h2-7,10-13,15H,8-9,14H2,1H3,(H,28,31).

What are the key properties of N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide?

N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 432.92 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2-pyridinyl)methyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 158503970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).