5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide

C25H24Cl2FN5O2 — CID 138462770

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3ccc(Cl)cc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C25H24Cl2FN5O2/c1-12(2)35-22-17(13(3)24-31-14(4)21-23(29)30-9-10-33(21)24)11-18(27)20(28)19(22)25(34)32-16-7-5-15(26)6-8-16/h5-13H,1-4H3,(H2,29,30)(H,32,34)
InChIKeyFBYCQPVXILONLJ-UHFFFAOYSA-N
MW516.40 g/mol
LogP6.26
Rot. Bonds6

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide (PubChem CID 138462770) has the molecular formula C25H24Cl2FN5O2 and a molecular weight of 516.40 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide
PubChem CID138462770
Molecular FormulaC25H24Cl2FN5O2
Molecular Weight516.40 g/mol
Exact Mass515.13
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3ccc(Cl)cc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C25H24Cl2FN5O2/c1-12(2)35-22-17(13(3)24-31-14(4)21-23(29)30-9-10-33(21)24)11-18(27)20(28)19(22)25(34)32-16-7-5-15(26)6-8-16/h5-13H,1-4H3,(H2,29,30)(H,32,34)
InChIKeyFBYCQPVXILONLJ-UHFFFAOYSA-N
XLogP6.26
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.40
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide (CID 138462770) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)Nc3ccc(Cl)cc3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide?
The InChIKey is FBYCQPVXILONLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN5O2/c1-12(2)35-22-17(13(3)24-31-14(4)21-23(29)30-9-10-33(21)24)11-18(27)20(28)19(22)25(34)32-16-7-5-15(26)6-8-16/h5-13H,1-4H3,(H2,29,30)(H,32,34).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide has a molecular weight of 516.40 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-(4-chlorophenyl)-2-fluoro-6-propan-2-yloxybenzamide is sourced from PubChem (CID 138462770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).