methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate

C29H29FN6O3 — CID 154404372

IUPACmethyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F
InChIInChI=1S/C29H29FN6O3/c1-35-11-3-4-20(16-35)17-39-28-25-15-32-18-36(25)27(26(34-28)21-7-5-19(13-31)6-8-21)22-9-10-23(24(30)12-22)14-33-29(37)38-2/h5-10,12,15,18,20H,3-4,11,14,16-17H2,1-2H3,(H,33,37)/t20-/m1/s1
InChIKeyFTFYEQCJXCDWGT-HXUWFJFHSA-N
MW528.59 g/mol
LogP4.65
Rot. Bonds7

About methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate

methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate (PubChem CID 154404372) has the molecular formula C29H29FN6O3 and a molecular weight of 528.59 g/mol. Its IUPAC name is methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate
PubChem CID154404372
Molecular FormulaC29H29FN6O3
Molecular Weight528.59 g/mol
Exact Mass528.23
IUPAC Namemethyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F
InChIInChI=1S/C29H29FN6O3/c1-35-11-3-4-20(16-35)17-39-28-25-15-32-18-36(25)27(26(34-28)21-7-5-19(13-31)6-8-21)22-9-10-23(24(30)12-22)14-33-29(37)38-2/h5-10,12,15,18,20H,3-4,11,14,16-17H2,1-2H3,(H,33,37)/t20-/m1/s1
InChIKeyFTFYEQCJXCDWGT-HXUWFJFHSA-N
XLogP4.65
TPSA104.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]phenyl]ethylcarbamic acid
CID 118647559
[2-fluoro-4-[6-(4-isocyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-6-methylphenyl]methanol
CID 134822703
4-[8-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-5-(5-fluoro-3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile
CID 118647345
methyl N-[5-[6-(4-isocyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-pyridinyl]-N-methylcarbamate
CID 158689245
4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647536
methyl N-[4-[6-(4-isocyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]phenyl]-N-methylcarbamate
CID 147272436
4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647497
4-[8-[3-fluoro-4-(hydroxymethyl)phenyl]-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584072
4-[5-(5,6-dimethyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647481
4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647425
4-[5-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647429
4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647477

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate (CID 154404372) is methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate is COC(=O)NCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F.
What is the InChIKey of methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate?
The InChIKey is FTFYEQCJXCDWGT-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H29FN6O3/c1-35-11-3-4-20(16-35)17-39-28-25-15-32-18-36(25)27(26(34-28)21-7-5-19(13-31)6-8-21)22-9-10-23(24(30)12-22)14-33-29(37)38-2/h5-10,12,15,18,20H,3-4,11,14,16-17H2,1-2H3,(H,33,37)/t20-/m1/s1.
What are the key properties of methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate?
methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate has a molecular weight of 528.59 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]methyl]carbamate is sourced from PubChem (CID 154404372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).