3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one

C16H12ClFN6O — CID 167130453

IUPAC3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(Nc2nc(-c3c(F)cccc3Cl)n3cc[nH]c(=O)c23)cn1
InChIInChI=1S/C16H12ClFN6O/c1-23-8-9(7-20-23)21-14-13-16(25)19-5-6-24(13)15(22-14)12-10(17)3-2-4-11(12)18/h2-8,21H,1H3,(H,19,25)
InChIKeyMFANTCFRQWVMFZ-UHFFFAOYSA-N
MW358.76 g/mol
LogP2.96
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one

3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 167130453) has the molecular formula C16H12ClFN6O and a molecular weight of 358.76 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID167130453
Molecular FormulaC16H12ClFN6O
Molecular Weight358.76 g/mol
Exact Mass358.07
IUPAC Name3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCn1cc(Nc2nc(-c3c(F)cccc3Cl)n3cc[nH]c(=O)c23)cn1
InChIInChI=1S/C16H12ClFN6O/c1-23-8-9(7-20-23)21-14-13-16(25)19-5-6-24(13)15(22-14)12-10(17)3-2-4-11(12)18/h2-8,21H,1H3,(H,19,25)
InChIKeyMFANTCFRQWVMFZ-UHFFFAOYSA-N
XLogP2.96
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one (CID 167130453) is 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one is Cn1cc(Nc2nc(-c3c(F)cccc3Cl)n3cc[nH]c(=O)c23)cn1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is MFANTCFRQWVMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN6O/c1-23-8-9(7-20-23)21-14-13-16(25)19-5-6-24(13)15(22-14)12-10(17)3-2-4-11(12)18/h2-8,21H,1H3,(H,19,25).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one?
3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 358.76 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-1-[(1-methylpyrazol-4-yl)amino]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 167130453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).