4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C23H26N8O2 — CID 58780436

IUPAC4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)Nc4cc(C)nn4C)ccc3C)c2c1C
InChIInChI=1S/C23H26N8O2/c1-6-24-23(33)17-11-31-20(15(17)4)21(25-12-26-31)27-18-10-16(8-7-13(18)2)22(32)28-19-9-14(3)29-30(19)5/h7-12H,6H2,1-5H3,(H,24,33)(H,28,32)(H,25,26,27)
InChIKeyJDDADDRKDYNTMC-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.13
Rot. Bonds6

About 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 58780436) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID58780436
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)Nc4cc(C)nn4C)ccc3C)c2c1C
InChIInChI=1S/C23H26N8O2/c1-6-24-23(33)17-11-31-20(15(17)4)21(25-12-26-31)27-18-10-16(8-7-13(18)2)22(32)28-19-9-14(3)29-30(19)5/h7-12H,6H2,1-5H3,(H,24,33)(H,28,32)(H,25,26,27)
InChIKeyJDDADDRKDYNTMC-UHFFFAOYSA-N
XLogP3.13
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10023556
N-ethyl-5-methyl-4-[2-methyl-5-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 46938508
5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 46939848
N-ethyl-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methanesulfonic acid
CID 22558499
4-(5-amino-2-methylanilino)-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 24755389
N-ethyl-5-methyl-4-[2-methyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780485
N-ethyl-4-[5-(2-methoxyethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 46938615
N-ethyl-5-methyl-4-[2-methyl-5-[2-(2-phenylpyrazol-3-yl)acetyl]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58238781
N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10251577
ethyl 4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 16726210
[ethyl-[3-[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzoyl]carbamoyl]oxymethyl 4-hydroxybenzoate
CID 143537358
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002229

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 58780436) is 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)Nc4cc(C)nn4C)ccc3C)c2c1C.
What is the InChIKey of 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is JDDADDRKDYNTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-6-24-23(33)17-11-31-20(15(17)4)21(25-12-26-31)27-18-10-16(8-7-13(18)2)22(32)28-19-9-14(3)29-30(19)5/h7-12H,6H2,1-5H3,(H,24,33)(H,28,32)(H,25,26,27).
What are the key properties of 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 58780436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).