N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide

C23H27ClFN5O3 — CID 155883504

About N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide

N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide (PubChem CID 155883504) has the molecular formula C23H27ClFN5O3 and a molecular weight of 475.95 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide
• PubChem CID: 155883504
• Molecular Formula: C23H27ClFN5O3
• Molecular Weight: 475.95 g/mol
• Exact Mass: 475.18
• IUPAC Name: N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)NCc1ccc(Cl)c(C2NC(=O)CC(c3cnc(OCC4CC4)cn3)N2)c1F
• InChI: InChI=1S/C23H27ClFN5O3/c1-12(2)23(32)28-8-14-5-6-15(24)20(21(14)25)22-29-16(7-18(31)30-22)17-9-27-19(10-26-17)33-11-13-3-4-13/h5-6,9-10,12-13,16,22,29H,3-4,7-8,11H2,1-2H3,(H,28,32)(H,30,31)
• InChIKey: NDESFJNEMUZJIS-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 105.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.95
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?

The IUPAC name of N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide (CID 155883504) is N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide.

What is the SMILES notation for N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?

The canonical SMILES for N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(Cl)c(C2NC(=O)CC(c3cnc(OCC4CC4)cn3)N2)c1F.

What is the InChIKey of N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?

The InChIKey is NDESFJNEMUZJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN5O3/c1-12(2)23(32)28-8-14-5-6-15(24)20(21(14)25)22-29-16(7-18(31)30-22)17-9-27-19(10-26-17)33-11-13-3-4-13/h5-6,9-10,12-13,16,22,29H,3-4,7-8,11H2,1-2H3,(H,28,32)(H,30,31).

What are the key properties of N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?

N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide has a molecular weight of 475.95 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).