4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C30H30F3N9O3 — CID 121455067

IUPAC4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@H]2CN(Cc3nc[nH]c3C)[C@@H](C)CO2)n2ccnc(N)c12
InChIInChI=1S/C30H30F3N9O3/c1-16-14-45-23(13-41(16)12-21-17(2)37-15-38-21)28-40-25(26-27(34)36-8-9-42(26)28)20-5-4-18(10-22(20)44-3)29(43)39-24-11-19(6-7-35-24)30(31,32)33/h4-11,15-16,23H,12-14H2,1-3H3,(H2,34,36)(H,37,38)(H,35,39,43)/t16-,23+/m0/s1
InChIKeyUNSWFOBCFIENQL-QMHKHESXSA-N
MW621.62 g/mol
LogP4.65
Rot. Bonds7

About 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 121455067) has the molecular formula C30H30F3N9O3 and a molecular weight of 621.62 g/mol. Its IUPAC name is 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID121455067
Molecular FormulaC30H30F3N9O3
Molecular Weight621.62 g/mol
Exact Mass621.24
IUPAC Name4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@H]2CN(Cc3nc[nH]c3C)[C@@H](C)CO2)n2ccnc(N)c12
InChIInChI=1S/C30H30F3N9O3/c1-16-14-45-23(13-41(16)12-21-17(2)37-15-38-21)28-40-25(26-27(34)36-8-9-42(26)28)20-5-4-18(10-22(20)44-3)29(43)39-24-11-19(6-7-35-24)30(31,32)33/h4-11,15-16,23H,12-14H2,1-3H3,(H2,34,36)(H,37,38)(H,35,39,43)/t16-,23+/m0/s1
InChIKeyUNSWFOBCFIENQL-QMHKHESXSA-N
XLogP4.65
TPSA148.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.62
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 121455067) is 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@H]2CN(Cc3nc[nH]c3C)[C@@H](C)CO2)n2ccnc(N)c12.
What is the InChIKey of 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is UNSWFOBCFIENQL-QMHKHESXSA-N. The full InChI is InChI=1S/C30H30F3N9O3/c1-16-14-45-23(13-41(16)12-21-17(2)37-15-38-21)28-40-25(26-27(34)36-8-9-42(26)28)20-5-4-18(10-22(20)44-3)29(43)39-24-11-19(6-7-35-24)30(31,32)33/h4-11,15-16,23H,12-14H2,1-3H3,(H2,34,36)(H,37,38)(H,35,39,43)/t16-,23+/m0/s1.
What are the key properties of 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 621.62 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(2R,5S)-5-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 121455067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).