N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

C23H24ClF3N6O — CID 143744404

IUPACN-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESNC1=NC=CN2C1=C(c1cc3cccc(Cl)c3[nH]1)NC2C1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C23H24ClF3N6O/c24-15-3-1-2-14-10-16(31-17(14)15)18-19-20(28)29-8-9-33(19)21(32-18)13-6-4-12(5-7-13)11-30-22(34)23(25,26)27/h1-3,8-10,12-13,21,31-32H,4-7,11H2,(H2,28,29)(H,30,34)
InChIKeyBTNDULXLTLESJD-UHFFFAOYSA-N
MW492.93 g/mol
LogP4.05
Rot. Bonds4

About N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 143744404) has the molecular formula C23H24ClF3N6O and a molecular weight of 492.93 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID143744404
Molecular FormulaC23H24ClF3N6O
Molecular Weight492.93 g/mol
Exact Mass492.17
IUPAC NameN-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESNC1=NC=CN2C1=C(c1cc3cccc(Cl)c3[nH]1)NC2C1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C23H24ClF3N6O/c24-15-3-1-2-14-10-16(31-17(14)15)18-19-20(28)29-8-9-33(19)21(32-18)13-6-4-12(5-7-13)11-30-22(34)23(25,26)27/h1-3,8-10,12-13,21,31-32H,4-7,11H2,(H2,28,29)(H,30,34)
InChIKeyBTNDULXLTLESJD-UHFFFAOYSA-N
XLogP4.05
TPSA98.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (CID 143744404) is N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is NC1=NC=CN2C1=C(c1cc3cccc(Cl)c3[nH]1)NC2C1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is BTNDULXLTLESJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6O/c24-15-3-1-2-14-10-16(31-17(14)15)18-19-20(28)29-8-9-33(19)21(32-18)13-6-4-12(5-7-13)11-30-22(34)23(25,26)27/h1-3,8-10,12-13,21,31-32H,4-7,11H2,(H2,28,29)(H,30,34).
What are the key properties of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 492.93 g/mol, XLogP of 4.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)-2,3-dihydroimidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 143744404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).