5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide

C23H21Cl2FN6O2 — CID 134590445

IUPAC5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide
SMILESCC(C)Oc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(N)=O)nc1
InChIInChI=1S/C23H21Cl2FN6O2/c1-10(2)34-19-13(11(3)23-31-20(25)18-21(27)29-6-7-32(18)23)8-14(24)17(26)16(19)12-4-5-15(22(28)33)30-9-12/h4-11H,1-3H3,(H2,27,29)(H2,28,33)
InChIKeyYHOFMTWWJZNFBY-UHFFFAOYSA-N
MW503.37 g/mol
LogP4.86
Rot. Bonds6

About 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide

5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide (PubChem CID 134590445) has the molecular formula C23H21Cl2FN6O2 and a molecular weight of 503.37 g/mol. Its IUPAC name is 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide
PubChem CID134590445
Molecular FormulaC23H21Cl2FN6O2
Molecular Weight503.37 g/mol
Exact Mass502.11
IUPAC Name5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide
SMILESCC(C)Oc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(N)=O)nc1
InChIInChI=1S/C23H21Cl2FN6O2/c1-10(2)34-19-13(11(3)23-31-20(25)18-21(27)29-6-7-32(18)23)8-14(24)17(26)16(19)12-4-5-15(22(28)33)30-9-12/h4-11H,1-3H3,(H2,27,29)(H2,28,33)
InChIKeyYHOFMTWWJZNFBY-UHFFFAOYSA-N
XLogP4.86
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide (CID 134590445) is 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide is CC(C)Oc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(N)=O)nc1.
What is the InChIKey of 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide?
The InChIKey is YHOFMTWWJZNFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN6O2/c1-10(2)34-19-13(11(3)23-31-20(25)18-21(27)29-6-7-32(18)23)8-14(24)17(26)16(19)12-4-5-15(22(28)33)30-9-12/h4-11H,1-3H3,(H2,27,29)(H2,28,33).
What are the key properties of 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide?
5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide has a molecular weight of 503.37 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 134590445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).