N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide

C19H13F3N4OS — CID 134793463

IUPACN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCc1cccs1)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)13-4-1-3-12(9-13)16-15-11-23-6-7-26(15)17(25-16)18(27)24-10-14-5-2-8-28-14/h1-9,11H,10H2,(H,24,27)
InChIKeyIHRIBCPCMXEWTK-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.41
Rot. Bonds4

About N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide

N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134793463) has the molecular formula C19H13F3N4OS and a molecular weight of 402.40 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134793463
Molecular FormulaC19H13F3N4OS
Molecular Weight402.40 g/mol
Exact Mass402.08
IUPAC NameN-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCc1cccs1)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)13-4-1-3-12(9-13)16-15-11-23-6-7-26(15)17(25-16)18(27)24-10-14-5-2-8-28-14/h1-9,11H,10H2,(H,24,27)
InChIKeyIHRIBCPCMXEWTK-UHFFFAOYSA-N
XLogP4.41
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
2-[(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 23657350
N-({3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)acetamide
CID 25093444
({3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)urea
CID 25093445
2-[({3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)amino]acetamide
CID 25093447
N-(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)acetamide
CID 25093449
(2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)urea
CID 25093450
N-methyl-2-[(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 25093452
2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}acetamide
CID 25093453
3-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}propanamide
CID 25093455

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide (CID 134793463) is N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide is O=C(NCc1cccs1)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12.
What is the InChIKey of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is IHRIBCPCMXEWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS/c20-19(21,22)13-4-1-3-12(9-13)16-15-11-23-6-7-26(15)17(25-16)18(27)24-10-14-5-2-8-28-14/h1-9,11H,10H2,(H,24,27).
What are the key properties of N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134793463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).