1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one

C24H24FN7O2 — CID 67333585

IUPAC1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one
SMILESCN(C)Cc1nnc2n1CCN(C(=O)c1cc(Cn3ncc(=O)c4ccccc43)ccc1F)C2
InChIInChI=1S/C24H24FN7O2/c1-29(2)14-22-27-28-23-15-30(9-10-31(22)23)24(34)18-11-16(7-8-19(18)25)13-32-20-6-4-3-5-17(20)21(33)12-26-32/h3-8,11-12H,9-10,13-15H2,1-2H3
InChIKeyBVZRBKHMMBNQIC-UHFFFAOYSA-N
MW461.50 g/mol
LogP1.89
Rot. Bonds5

About 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one

1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one (PubChem CID 67333585) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one
PubChem CID67333585
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one
SMILESCN(C)Cc1nnc2n1CCN(C(=O)c1cc(Cn3ncc(=O)c4ccccc43)ccc1F)C2
InChIInChI=1S/C24H24FN7O2/c1-29(2)14-22-27-28-23-15-30(9-10-31(22)23)24(34)18-11-16(7-8-19(18)25)13-32-20-6-4-3-5-17(20)21(33)12-26-32/h3-8,11-12H,9-10,13-15H2,1-2H3
InChIKeyBVZRBKHMMBNQIC-UHFFFAOYSA-N
XLogP1.89
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one with MolForge

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Related Compounds

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CID 155295516
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CID 16010733
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CID 6622954
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CID 20880833

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one?
The IUPAC name of 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one (CID 67333585) is 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one.
What is the SMILES notation for 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one?
The canonical SMILES for 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one is CN(C)Cc1nnc2n1CCN(C(=O)c1cc(Cn3ncc(=O)c4ccccc43)ccc1F)C2.
What is the InChIKey of 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one?
The InChIKey is BVZRBKHMMBNQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-29(2)14-22-27-28-23-15-30(9-10-31(22)23)24(34)18-11-16(7-8-19(18)25)13-32-20-6-4-3-5-17(20)21(33)12-26-32/h3-8,11-12H,9-10,13-15H2,1-2H3.
What are the key properties of 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one?
1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one has a molecular weight of 461.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-[(dimethylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]cinnolin-4-one is sourced from PubChem (CID 67333585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).