7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C19H18F3N5O2 — CID 155260039

IUPAC7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1ncn2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2)C(F)(F)F
InChIInChI=1S/C19H18F3N5O2/c1-11(19(20,21)22)24-17(28)16-15-9-26(6-7-27(15)10-23-16)18(29)14-8-12-4-2-3-5-13(12)25-14/h2-5,8,10-11,25H,6-7,9H2,1H3,(H,24,28)/t11-/m1/s1
InChIKeyVENZCMYYVDUDSD-LLVKDONJSA-N
MW405.38 g/mol
LogP2.70
Rot. Bonds3

About 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 155260039) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID155260039
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESC[C@@H](NC(=O)c1ncn2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2)C(F)(F)F
InChIInChI=1S/C19H18F3N5O2/c1-11(19(20,21)22)24-17(28)16-15-9-26(6-7-27(15)10-23-16)18(29)14-8-12-4-2-3-5-13(12)25-14/h2-5,8,10-11,25H,6-7,9H2,1H3,(H,24,28)/t11-/m1/s1
InChIKeyVENZCMYYVDUDSD-LLVKDONJSA-N
XLogP2.70
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Related Compounds

5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 166721274
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119767406
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
CID 29130725
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide
CID 73402295

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 155260039) is 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is C[C@@H](NC(=O)c1ncn2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2)C(F)(F)F.
What is the InChIKey of 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is VENZCMYYVDUDSD-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-11(19(20,21)22)24-17(28)16-15-9-26(6-7-27(15)10-23-16)18(29)14-8-12-4-2-3-5-13(12)25-14/h2-5,8,10-11,25H,6-7,9H2,1H3,(H,24,28)/t11-/m1/s1.
What are the key properties of 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indole-2-carbonyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 155260039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).