5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide

C26H27ClFN5O3 — CID 138463084

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide
SMILESCC1=C2C(=NC=CN2C(=N1)C(C)C3=CC(=C(C(=C3OC(C)C)C(=O)NC4=CC=C(C=C4)OC)F)Cl)N
InChIInChI=1S/C26H27ClFN5O3/c1-13(2)36-23-18(14(3)25-31-15(4)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)32-16-6-8-17(35-5)9-7-16/h6-14H,1-5H3,(H2,29,30)(H,32,34)
InChIKeyONZRCWAKJQXQRP-UHFFFAOYSA-N
MW512.00 g/mol
LogP5.40
Rot. Bonds7

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide (PubChem CID 138463084) has the molecular formula C26H27ClFN5O3 and a molecular weight of 512.00 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide
PubChem CID138463084
Molecular FormulaC26H27ClFN5O3
Molecular Weight512.00 g/mol
Exact Mass511.18
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide
SMILESCC1=C2C(=NC=CN2C(=N1)C(C)C3=CC(=C(C(=C3OC(C)C)C(=O)NC4=CC=C(C=C4)OC)F)Cl)N
InChIInChI=1S/C26H27ClFN5O3/c1-13(2)36-23-18(14(3)25-31-15(4)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)32-16-6-8-17(35-5)9-7-16/h6-14H,1-5H3,(H2,29,30)(H,32,34)
InChIKeyONZRCWAKJQXQRP-UHFFFAOYSA-N
XLogP5.40
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity742

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.00
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide 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

2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
7-[2-Chloro-4-[[5-(2-hydroxyethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenoxy]-2,3-dihydroisoindol-1-one
CID 57415535
[2-[3-(2,4,4-Trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-chlorobenzoate
CID 4437033
US11130767, Example 2
CID 118574254
US11130767, Example 2B
CID 118574286
US11130767, Example 2A
CID 118574334
US11130767, Example 2C
CID 118574341
US11130767, Example 2D
CID 118574346
US10759794, Example 21
CID 129225877
US11091495, Example 31
CID 155788180
MAT-POS-7ddaf7de-1
CID 156906156
MAT-POS-51833a24-1
CID 156906169

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide (CID 138463084) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide is CC1=C2C(=NC=CN2C(=N1)C(C)C3=CC(=C(C(=C3OC(C)C)C(=O)NC4=CC=C(C=C4)OC)F)Cl)N.
What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide?
The InChIKey is ONZRCWAKJQXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN5O3/c1-13(2)36-23-18(14(3)25-31-15(4)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)32-16-6-8-17(35-5)9-7-16/h6-14H,1-5H3,(H2,29,30)(H,32,34).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide has a molecular weight of 512.00 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methoxyphenyl)-6-propan-2-yloxybenzamide is sourced from PubChem (CID 138463084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).