N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide

C28H28F3N7O — CID 67575428

IUPACN-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESNc1nccn2c(C3CCN(CNC(=O)c4cccc(C(F)(F)F)c4)CC3)nc(C3Cc4ccccc4N3)c12
InChIInChI=1S/C28H28F3N7O/c29-28(30,31)20-6-3-5-19(14-20)27(39)34-16-37-11-8-17(9-12-37)26-36-23(24-25(32)33-10-13-38(24)26)22-15-18-4-1-2-7-21(18)35-22/h1-7,10,13-14,17,22,35H,8-9,11-12,15-16H2,(H2,32,33)(H,34,39)
InChIKeyGMARWURCXAMQNB-UHFFFAOYSA-N
MW535.57 g/mol
LogP4.61
Rot. Bonds5

About N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide

N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 67575428) has the molecular formula C28H28F3N7O and a molecular weight of 535.57 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID67575428
Molecular FormulaC28H28F3N7O
Molecular Weight535.57 g/mol
Exact Mass535.23
IUPAC NameN-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESNc1nccn2c(C3CCN(CNC(=O)c4cccc(C(F)(F)F)c4)CC3)nc(C3Cc4ccccc4N3)c12
InChIInChI=1S/C28H28F3N7O/c29-28(30,31)20-6-3-5-19(14-20)27(39)34-16-37-11-8-17(9-12-37)26-36-23(24-25(32)33-10-13-38(24)26)22-15-18-4-1-2-7-21(18)35-22/h1-7,10,13-14,17,22,35H,8-9,11-12,15-16H2,(H2,32,33)(H,34,39)
InChIKeyGMARWURCXAMQNB-UHFFFAOYSA-N
XLogP4.61
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.57
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide (CID 67575428) is N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide is Nc1nccn2c(C3CCN(CNC(=O)c4cccc(C(F)(F)F)c4)CC3)nc(C3Cc4ccccc4N3)c12.
What is the InChIKey of N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GMARWURCXAMQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O/c29-28(30,31)20-6-3-5-19(14-20)27(39)34-16-37-11-8-17(9-12-37)26-36-23(24-25(32)33-10-13-38(24)26)22-15-18-4-1-2-7-21(18)35-22/h1-7,10,13-14,17,22,35H,8-9,11-12,15-16H2,(H2,32,33)(H,34,39).
What are the key properties of N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide?
N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 535.57 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(2,3-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 67575428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).