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

C29H28FN7O2 — CID 118102371

IUPAC1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCNCC5)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C29H28FN7O2/c1-18-34-15-19(16-35-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)33-10-11-37(27)29(36-26)21-6-8-32-9-7-21/h2-5,10-16,21,32H,6-9,17H2,1H3,(H2,31,33)
InChIKeyBFYJHEGYKFTOLV-UHFFFAOYSA-N
MW525.59 g/mol
LogP5.05
Rot. Bonds7

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

1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 118102371) has the molecular formula C29H28FN7O2 and a molecular weight of 525.59 g/mol. Its IUPAC name is 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
PubChem CID118102371
Molecular FormulaC29H28FN7O2
Molecular Weight525.59 g/mol
Exact Mass525.23
IUPAC Name1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCNCC5)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C29H28FN7O2/c1-18-34-15-19(16-35-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)33-10-11-37(27)29(36-26)21-6-8-32-9-7-21/h2-5,10-16,21,32H,6-9,17H2,1H3,(H2,31,33)
InChIKeyBFYJHEGYKFTOLV-UHFFFAOYSA-N
XLogP5.05
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.59
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2,4-Disubstituted Pyrimidine 2h
CID 5329421
Cis-3-[8-Amino-1-(4-Phenoxyphenyl)imidazo[1,5-A]pyrazin-3-Yl]cyclobutanol
CID 44539087
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)-8-phenylmethoxyimidazo[1,5-a]quinoxaline
CID 49821394
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
N-propan-2-yl-4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]aniline
CID 134179300
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10i
CID 25138159
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10m
CID 25138162
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10n
CID 25138163
N-{2-Methoxy-4-[(1-Methylpiperidin-4-Yl)oxy]phenyl}-4-(1h-Pyrrolo[2,3-C]pyridin-3-Yl)pyrimidin-2-Amine
CID 91668530
103D5R
CID 11267663

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine (CID 118102371) is 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[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-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine is Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CCNCC5)n5ccnc(N)c45)cc3)c2)cn1.
What is the InChIKey of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is BFYJHEGYKFTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN7O2/c1-18-34-15-19(16-35-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)33-10-11-37(27)29(36-26)21-6-8-32-9-7-21/h2-5,10-16,21,32H,6-9,17H2,1H3,(H2,31,33).
What are the key properties of 1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine?
1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 525.59 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118102371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).