1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine

C32H32FN7O3 — CID 118102309

IUPAC1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCN(C6COC6)C5)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C32H32FN7O3/c1-20-36-14-21(15-37-20)17-42-27-11-24(33)12-28(13-27)43-26-6-4-22(5-7-26)29-30-31(34)35-8-10-40(30)32(38-29)23-3-2-9-39(16-23)25-18-41-19-25/h4-8,10-15,23,25H,2-3,9,16-19H2,1H3,(H2,34,35)/t23-/m1/s1
InChIKeyNOXQVUGDWYBFLZ-HSZRJFAPSA-N
MW581.65 g/mol
LogP5.17
Rot. Bonds8

About 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine

1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 118102309) has the molecular formula C32H32FN7O3 and a molecular weight of 581.65 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID118102309
Molecular FormulaC32H32FN7O3
Molecular Weight581.65 g/mol
Exact Mass581.26
IUPAC Name1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCN(C6COC6)C5)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C32H32FN7O3/c1-20-36-14-21(15-37-20)17-42-27-11-24(33)12-28(13-27)43-26-6-4-22(5-7-26)29-30-31(34)35-8-10-40(30)32(38-29)23-3-2-9-39(16-23)25-18-41-19-25/h4-8,10-15,23,25H,2-3,9,16-19H2,1H3,(H2,34,35)/t23-/m1/s1
InChIKeyNOXQVUGDWYBFLZ-HSZRJFAPSA-N
XLogP5.17
TPSA112.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.65
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

Cis-3-[8-Amino-1-(4-Phenoxyphenyl)imidazo[1,5-A]pyrazin-3-Yl]cyclobutanol
CID 44539087
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)-8-phenylmethoxyimidazo[1,5-a]quinoxaline
CID 49821394
103D5R
CID 11267663
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy]phenyl)-imidazo[1,2-a]pyridine
CID 10551197
trans-3-(-4-(Azetidin-1-ylmethyl)cyclohexyl)-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-8-amine
CID 11225122
N-(2,6-dimethylphenyl)-5-[4-(1-methylpiperidin-3-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine hydrochloride
CID 11270660
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(morpholinomethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11504226
1-(2,4-Diethoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11512683
3-(3-Dimethylaminomethyl-cyclobutyl)-1-(3-benzyloxyphenyl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 11604324
8-Methyl-2-[4-(3-morpholin-4-yl-propoxy)-phenyl]-imidazo[1,2-a]pyridine
CID 14201504
N-(2,6-dimethylphenyl)-5-[4-(2-morpholin-4-ylethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 44422570

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine (CID 118102309) is 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine is Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc([C@@H]5CCCN(C6COC6)C5)n5ccnc(N)c45)cc3)c2)cn1.
What is the InChIKey of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is NOXQVUGDWYBFLZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H32FN7O3/c1-20-36-14-21(15-37-20)17-42-27-11-24(33)12-28(13-27)43-26-6-4-22(5-7-26)29-30-31(34)35-8-10-40(30)32(38-29)23-3-2-9-39(16-23)25-18-41-19-25/h4-8,10-15,23,25H,2-3,9,16-19H2,1H3,(H2,34,35)/t23-/m1/s1.
What are the key properties of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 581.65 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118102309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).