5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid

C24H23ClFN5O3 — CID 134588150

IUPAC5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid
SMILESCc1nc([C@@H](C)c2cc(Cl)c(F)c(-c3ccc(C(=O)O)nc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C24H23ClFN5O3/c1-11(2)34-21-15(12(3)23-30-13(4)20-22(27)28-7-8-31(20)23)9-16(25)19(26)18(21)14-5-6-17(24(32)33)29-10-14/h5-12H,1-4H3,(H2,27,28)(H,32,33)/t12-/m0/s1
InChIKeyLMDTUMMSFOAFHU-LBPRGKRZSA-N
MW483.93 g/mol
LogP5.11
Rot. Bonds6

About 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid

5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid (PubChem CID 134588150) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid
PubChem CID134588150
Molecular FormulaC24H23ClFN5O3
Molecular Weight483.93 g/mol
Exact Mass483.15
IUPAC Name5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid
SMILESCc1nc([C@@H](C)c2cc(Cl)c(F)c(-c3ccc(C(=O)O)nc3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C24H23ClFN5O3/c1-11(2)34-21-15(12(3)23-30-13(4)20-22(27)28-7-8-31(20)23)9-16(25)19(26)18(21)14-5-6-17(24(32)33)29-10-14/h5-12H,1-4H3,(H2,27,28)(H,32,33)/t12-/m0/s1
InChIKeyLMDTUMMSFOAFHU-LBPRGKRZSA-N
XLogP5.11
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.93
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid (CID 134588150) is 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid is Cc1nc([C@@H](C)c2cc(Cl)c(F)c(-c3ccc(C(=O)O)nc3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid?
The InChIKey is LMDTUMMSFOAFHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c1-11(2)34-21-15(12(3)23-30-13(4)20-22(27)28-7-8-31(20)23)9-16(25)19(26)18(21)14-5-6-17(24(32)33)29-10-14/h5-12H,1-4H3,(H2,27,28)(H,32,33)/t12-/m0/s1.
What are the key properties of 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid?
5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid has a molecular weight of 483.93 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 134588150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).