2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one

C23H23ClFN5O — CID 123620693

IUPAC2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
SMILESCc1cc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)C(C)(C)N)C3)ccc1Cl
InChIInChI=1S/C23H23ClFN5O/c1-14-12-17(8-9-18(14)24)27-21-20(15-4-6-16(25)7-5-15)28-19-13-29(10-11-30(19)21)22(31)23(2,3)26/h4-12,27H,13,26H2,1-3H3
InChIKeyHHFNSZPELNIDRP-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.90
Rot. Bonds4

About 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one

2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one (PubChem CID 123620693) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
PubChem CID123620693
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC Name2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one
SMILESCc1cc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)C(C)(C)N)C3)ccc1Cl
InChIInChI=1S/C23H23ClFN5O/c1-14-12-17(8-9-18(14)24)27-21-20(15-4-6-16(25)7-5-15)28-19-13-29(10-11-30(19)21)22(31)23(2,3)26/h4-12,27H,13,26H2,1-3H3
InChIKeyHHFNSZPELNIDRP-UHFFFAOYSA-N
XLogP4.90
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one (CID 123620693) is 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one is Cc1cc(Nc2c(-c3ccc(F)cc3)nc3n2C=CN(C(=O)C(C)(C)N)C3)ccc1Cl.
What is the InChIKey of 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
The InChIKey is HHFNSZPELNIDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O/c1-14-12-17(8-9-18(14)24)27-21-20(15-4-6-16(25)7-5-15)28-19-13-29(10-11-30(19)21)22(31)23(2,3)26/h4-12,27H,13,26H2,1-3H3.
What are the key properties of 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one?
2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one has a molecular weight of 439.92 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-chloro-3-methylanilino)-2-(4-fluorophenyl)-8H-imidazo[1,2-a]pyrazin-7-yl]-2-methylpropan-1-one is sourced from PubChem (CID 123620693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).