2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid

C28H28F3N7O5 — CID 121455880

IUPAC2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@H]2CN(C(C)(C)C(=O)O)CCO2)n2ccnc(N)c12
InChIInChI=1S/C28H28F3N7O5/c1-27(2,26(40)41)37-10-11-43-19(14-37)24-36-21(22-23(32)34-8-9-38(22)24)17-5-4-15(12-18(17)42-3)25(39)35-20-13-16(6-7-33-20)28(29,30)31/h4-9,12-13,19H,10-11,14H2,1-3H3,(H2,32,34)(H,40,41)(H,33,35,39)/t19-/m1/s1
InChIKeyFTUNVOPDPXEWMM-LJQANCHMSA-N
MW599.57 g/mol
LogP3.89
Rot. Bonds7

About 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid

2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid (PubChem CID 121455880) has the molecular formula C28H28F3N7O5 and a molecular weight of 599.57 g/mol. Its IUPAC name is 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid
PubChem CID121455880
Molecular FormulaC28H28F3N7O5
Molecular Weight599.57 g/mol
Exact Mass599.21
IUPAC Name2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@H]2CN(C(C)(C)C(=O)O)CCO2)n2ccnc(N)c12
InChIInChI=1S/C28H28F3N7O5/c1-27(2,26(40)41)37-10-11-43-19(14-37)24-36-21(22-23(32)34-8-9-38(22)24)17-5-4-15(12-18(17)42-3)25(39)35-20-13-16(6-7-33-20)28(29,30)31/h4-9,12-13,19H,10-11,14H2,1-3H3,(H2,32,34)(H,40,41)(H,33,35,39)/t19-/m1/s1
InChIKeyFTUNVOPDPXEWMM-LJQANCHMSA-N
XLogP3.89
TPSA157.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.57
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid (CID 121455880) is 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid is COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@H]2CN(C(C)(C)C(=O)O)CCO2)n2ccnc(N)c12.
What is the InChIKey of 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid?
The InChIKey is FTUNVOPDPXEWMM-LJQANCHMSA-N. The full InChI is InChI=1S/C28H28F3N7O5/c1-27(2,26(40)41)37-10-11-43-19(14-37)24-36-21(22-23(32)34-8-9-38(22)24)17-5-4-15(12-18(17)42-3)25(39)35-20-13-16(6-7-33-20)28(29,30)31/h4-9,12-13,19H,10-11,14H2,1-3H3,(H2,32,34)(H,40,41)(H,33,35,39)/t19-/m1/s1.
What are the key properties of 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid?
2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid has a molecular weight of 599.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[8-amino-1-[2-methoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]morpholin-4-yl]-2-methylpropanoic acid is sourced from PubChem (CID 121455880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).