4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C26H21ClFN7O — CID 146304756

About 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 146304756) has the molecular formula C26H21ClFN7O and a molecular weight of 501.95 g/mol. Its IUPAC name is 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 146304756
• Molecular Formula: C26H21ClFN7O
• Molecular Weight: 501.95 g/mol
• Exact Mass: 501.15
• IUPAC Name: 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(C2(F)C=CC=CC2)C(=O)Nc2nc(-c3cn4ccnc4c(Cc4cccc(Cl)c4)n3)nc(N)c21
• InChI: InChI=1S/C26H21ClFN7O/c1-25(26(28)8-3-2-4-9-26)19-20(29)32-21(33-22(19)34-24(25)36)18-14-35-11-10-30-23(35)17(31-18)13-15-6-5-7-16(27)12-15/h2-8,10-12,14H,9,13H2,1H3,(H3,29,32,33,34,36)
• InChIKey: QKJOPTPQJNHPDO-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 111.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.95
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 146304756) is 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C2(F)C=CC=CC2)C(=O)Nc2nc(-c3cn4ccnc4c(Cc4cccc(Cl)c4)n3)nc(N)c21.

What is the InChIKey of 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is QKJOPTPQJNHPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN7O/c1-25(26(28)8-3-2-4-9-26)19-20(29)32-21(33-22(19)34-24(25)36)18-14-35-11-10-30-23(35)17(31-18)13-15-6-5-7-16(27)12-15/h2-8,10-12,14H,9,13H2,1H3,(H3,29,32,33,34,36).

What are the key properties of 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 501.95 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-[8-[(3-chlorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-(1-fluorocyclohexa-2,4-dien-1-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 146304756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).