3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid

C26H26FN3O4 — CID 155124258

IUPAC3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
SMILESCOc1cc(-c2cnc([C@H]3CCc4ccc(C(C5CC5)C(C)C(=O)O)cc4O3)cn2)c(F)cn1
InChIInChI=1S/C26H26FN3O4/c1-14(26(31)32)25(16-4-5-16)17-6-3-15-7-8-22(34-23(15)9-17)21-13-28-20(12-29-21)18-10-24(33-2)30-11-19(18)27/h3,6,9-14,16,22,25H,4-5,7-8H2,1-2H3,(H,31,32)/t14?,22-,25?/m1/s1
InChIKeyHKWUKMCYWLVODM-WWLGSUTDSA-N
MW463.51 g/mol
LogP4.97
Rot. Bonds7

About 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid

3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid (PubChem CID 155124258) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
PubChem CID155124258
Molecular FormulaC26H26FN3O4
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC Name3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
SMILESCOc1cc(-c2cnc([C@H]3CCc4ccc(C(C5CC5)C(C)C(=O)O)cc4O3)cn2)c(F)cn1
InChIInChI=1S/C26H26FN3O4/c1-14(26(31)32)25(16-4-5-16)17-6-3-15-7-8-22(34-23(15)9-17)21-13-28-20(12-29-21)18-10-24(33-2)30-11-19(18)27/h3,6,9-14,16,22,25H,4-5,7-8H2,1-2H3,(H,31,32)/t14?,22-,25?/m1/s1
InChIKeyHKWUKMCYWLVODM-WWLGSUTDSA-N
XLogP4.97
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid (CID 155124258) is 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid is COc1cc(-c2cnc([C@H]3CCc4ccc(C(C5CC5)C(C)C(=O)O)cc4O3)cn2)c(F)cn1.
What is the InChIKey of 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?
The InChIKey is HKWUKMCYWLVODM-WWLGSUTDSA-N. The full InChI is InChI=1S/C26H26FN3O4/c1-14(26(31)32)25(16-4-5-16)17-6-3-15-7-8-22(34-23(15)9-17)21-13-28-20(12-29-21)18-10-24(33-2)30-11-19(18)27/h3,6,9-14,16,22,25H,4-5,7-8H2,1-2H3,(H,31,32)/t14?,22-,25?/m1/s1.
What are the key properties of 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid?
3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid has a molecular weight of 463.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2R)-2-[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid is sourced from PubChem (CID 155124258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).