2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C20H19N7O2 — CID 137049301

IUPAC2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(C)c3ccccc32)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C20H19N7O2/c1-13-14(19(29)25-11-10-24(2)15-6-3-4-7-16(15)25)12-21-27(13)20-22-18(28)17-8-5-9-26(17)23-20/h3-9,12H,10-11H2,1-2H3,(H,22,23,28)
InChIKeySFKNBBWCWPOTOZ-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.61
Rot. Bonds2

About 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049301) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049301
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCN(C)c3ccccc32)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C20H19N7O2/c1-13-14(19(29)25-11-10-24(2)15-6-3-4-7-16(15)25)12-21-27(13)20-22-18(28)17-8-5-9-26(17)23-20/h3-9,12H,10-11H2,1-2H3,(H,22,23,28)
InChIKeySFKNBBWCWPOTOZ-UHFFFAOYSA-N
XLogP1.61
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 137049058
CID 137049058
4-ethyl-1-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carbonyl]piperidine-4-carbonitrile
CID 137049021
tert-butyl 2-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 137049022
2-[4-(6-azaspiro[2.5]octane-6-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049031
2-[4-(6,6-difluoro-2-azaspiro[3.3]heptane-2-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049057
2-[4-(2-azaspiro[3.4]octane-2-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049059
tert-butyl N-methyl-N-[1-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]azetidin-3-yl]carbamate
CID 137049065
2-[4-(5-azaspiro[2.5]octane-5-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049066
2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049067
1-[1-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]cyclopropane-1-carbonitrile
CID 137049072
2-[5-methyl-4-[4-(2,2,2-trifluoroethoxy)piperidine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049079
2-[4-(4-cyclopropyl-4-hydroxypiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049098

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049301) is 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCN(C)c3ccccc32)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is SFKNBBWCWPOTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-13-14(19(29)25-11-10-24(2)15-6-3-4-7-16(15)25)12-21-27(13)20-22-18(28)17-8-5-9-26(17)23-20/h3-9,12H,10-11H2,1-2H3,(H,22,23,28).
What are the key properties of 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 389.42 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).