6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one

C22H24N7O+ — CID 91270787

IUPAC6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one
SMILESC[n+]1ccn2c1C(Nc1ccc3c(c1)NC(=O)C3)=NC(C1CCc3cn[nH]c3C1)C2
InChIInChI=1S/C22H23N7O/c1-28-6-7-29-12-19(13-2-3-15-11-23-27-18(15)8-13)26-21(22(28)29)24-16-5-4-14-9-20(30)25-17(14)10-16/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3,(H2-,23,24,25,26,27,30)/p+1
InChIKeyGWGVLVZGIXQMGW-UHFFFAOYSA-O
MW402.48 g/mol
LogP1.58
Rot. Bonds2

About 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one

6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 91270787) has the molecular formula C22H24N7O+ and a molecular weight of 402.48 g/mol. Its IUPAC name is 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one
PubChem CID91270787
Molecular FormulaC22H24N7O+
Molecular Weight402.48 g/mol
Exact Mass402.20
IUPAC Name6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one
SMILESC[n+]1ccn2c1C(Nc1ccc3c(c1)NC(=O)C3)=NC(C1CCc3cn[nH]c3C1)C2
InChIInChI=1S/C22H23N7O/c1-28-6-7-29-12-19(13-2-3-15-11-23-27-18(15)8-13)26-21(22(28)29)24-16-5-4-14-9-20(30)25-17(14)10-16/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3,(H2-,23,24,25,26,27,30)/p+1
InChIKeyGWGVLVZGIXQMGW-UHFFFAOYSA-O
XLogP1.58
TPSA90.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

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SGC-iMLLT
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CID 71449993
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71450038
4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 71453639
4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]-N-[3-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 71455407
4-methyl-N-[3-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71459043
N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11561600
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 44597166

Frequently Asked Questions

What is the IUPAC name of 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one (CID 91270787) is 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one is C[n+]1ccn2c1C(Nc1ccc3c(c1)NC(=O)C3)=NC(C1CCc3cn[nH]c3C1)C2.
What is the InChIKey of 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is GWGVLVZGIXQMGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23N7O/c1-28-6-7-29-12-19(13-2-3-15-11-23-27-18(15)8-13)26-21(22(28)29)24-16-5-4-14-9-20(30)25-17(14)10-16/h4-7,10-11,13,19H,2-3,8-9,12H2,1H3,(H2-,23,24,25,26,27,30)/p+1.
What are the key properties of 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one?
6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 402.48 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-methyl-6-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-5,6-dihydroimidazo[1,2-a]pyrazin-1-ium-8-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91270787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).