[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone

C22H25ClFN5O2 — CID 138463143

IUPAC[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(Cc2cc(Cl)c(F)c(C(=O)N3CCCC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C22H25ClFN5O2/c1-12(2)31-20-14(11-16-27-13(3)19-21(25)26-6-9-29(16)19)10-15(23)18(24)17(20)22(30)28-7-4-5-8-28/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H2,25,26)
InChIKeyLCODDLMMCTYCQH-UHFFFAOYSA-N
MW445.93 g/mol
LogP4.03
Rot. Bonds5

About [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone

[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 138463143) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID138463143
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(Cc2cc(Cl)c(F)c(C(=O)N3CCCC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C22H25ClFN5O2/c1-12(2)31-20-14(11-16-27-13(3)19-21(25)26-6-9-29(16)19)10-15(23)18(24)17(20)22(30)28-7-4-5-8-28/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H2,25,26)
InChIKeyLCODDLMMCTYCQH-UHFFFAOYSA-N
XLogP4.03
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone (CID 138463143) is [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone is Cc1nc(Cc2cc(Cl)c(F)c(C(=O)N3CCCC3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LCODDLMMCTYCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-12(2)31-20-14(11-16-27-13(3)19-21(25)26-6-9-29(16)19)10-15(23)18(24)17(20)22(30)28-7-4-5-8-28/h6,9-10,12H,4-5,7-8,11H2,1-3H3,(H2,25,26).
What are the key properties of [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone?
[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 445.93 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 138463143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).