6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide

C23H27N9O3 — CID 174212169

IUPAC6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide
SMILESCCONC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C(C)c1nc(C)nn1-2
InChIInChI=1S/C23H27N9O3/c1-5-35-30-23(34)19-16(11-18(27-28-19)26-22(33)14-9-10-14)25-15-7-6-8-17-20(15)31(4)12(2)21-24-13(3)29-32(17)21/h6-8,11-12,14H,5,9-10H2,1-4H3,(H,30,34)(H2,25,26,27,33)
InChIKeyGJGNGGMEVQWKJR-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.65
Rot. Bonds7

About 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide (PubChem CID 174212169) has the molecular formula C23H27N9O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide
PubChem CID174212169
Molecular FormulaC23H27N9O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC Name6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide
SMILESCCONC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C(C)c1nc(C)nn1-2
InChIInChI=1S/C23H27N9O3/c1-5-35-30-23(34)19-16(11-18(27-28-19)26-22(33)14-9-10-14)25-15-7-6-8-17-20(15)31(4)12(2)21-24-13(3)29-32(17)21/h6-8,11-12,14H,5,9-10H2,1-4H3,(H,30,34)(H2,25,26,27,33)
InChIKeyGJGNGGMEVQWKJR-UHFFFAOYSA-N
XLogP2.65
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide
CID 170960773
6-chloro-N-methoxy-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridine-3-carboxamide
CID 170960782
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
2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid
CID 174213291
6-(cyclopropanecarbonylamino)-4-[3-(5-diethylphosphoryl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170719727
6-(cyclopropanecarbonylamino)-4-[[4,5-dimethyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177346880
4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902987
6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177347713
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
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
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide (CID 174212169) is 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide is CCONC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C(C)c1nc(C)nn1-2.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide?
The InChIKey is GJGNGGMEVQWKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O3/c1-5-35-30-23(34)19-16(11-18(27-28-19)26-22(33)14-9-10-14)25-15-7-6-8-17-20(15)31(4)12(2)21-24-13(3)29-32(17)21/h6-8,11-12,14H,5,9-10H2,1-4H3,(H,30,34)(H2,25,26,27,33).
What are the key properties of 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 174212169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).