2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide

C24H26FN7O3 — CID 175973858

IUPAC2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2F)cc1Nc1cccc2c1N(C)[C@H](C)c1nn(C)c(=O)n1-2
InChIInChI=1S/C24H26FN7O3/c1-5-19(33)14-11-26-20(28-23(34)13-9-15(13)25)10-17(14)27-16-7-6-8-18-21(16)30(3)12(2)22-29-31(4)24(35)32(18)22/h6-8,10-13,15H,5,9H2,1-4H3,(H2,26,27,28,34)/t12-,13?,15?/m1/s1/i1D3
InChIKeyZCGSRYMEYSXVHZ-VOTWBOPVSA-N
MW482.53 g/mol
LogP3.11
Rot. Bonds7

About 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide

2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 175973858) has the molecular formula C24H26FN7O3 and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID175973858
Molecular FormulaC24H26FN7O3
Molecular Weight482.53 g/mol
Exact Mass482.23
IUPAC Name2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2F)cc1Nc1cccc2c1N(C)[C@H](C)c1nn(C)c(=O)n1-2
InChIInChI=1S/C24H26FN7O3/c1-5-19(33)14-11-26-20(28-23(34)13-9-15(13)25)10-17(14)27-16-7-6-8-18-21(16)30(3)12(2)22-29-31(4)24(35)32(18)22/h6-8,10-13,15H,5,9H2,1-4H3,(H2,26,27,28,34)/t12-,13?,15?/m1/s1/i1D3
InChIKeyZCGSRYMEYSXVHZ-VOTWBOPVSA-N
XLogP3.11
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[4-[[(4R)-2,3,4,5-tetramethyl-4H-imidazo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973840
N-[4-[(2,6-dimethyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzodiazepin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600322
N-[4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c]quinolin-6-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600229
N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973916
N-[4-[(5,5-dideuterio-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600162
N-[4-[[(4R)-2,3,4,5,8-pentamethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044532
N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-[1,3]thiazolo[5,4-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973848
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044553
N-[4-[[(4R)-2,4,5,9-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044780
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]pyridine-3-carboxamide
CID 164903027
N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170347942

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide (CID 175973858) is 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide is [2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2F)cc1Nc1cccc2c1N(C)[C@H](C)c1nn(C)c(=O)n1-2.
What is the InChIKey of 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is ZCGSRYMEYSXVHZ-VOTWBOPVSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-5-19(33)14-11-26-20(28-23(34)13-9-15(13)25)10-17(14)27-16-7-6-8-18-21(16)30(3)12(2)22-29-31(4)24(35)32(18)22/h6-8,10-13,15H,5,9H2,1-4H3,(H2,26,27,28,34)/t12-,13?,15?/m1/s1/i1D3.
What are the key properties of 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide?
2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175973858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).