N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C32H32N8O3 — CID 142823381

IUPACN-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ncnn2cc(C(=O)NCc3ccccc3)c(C)c12
InChIInChI=1S/C32H32N8O3/c1-21-8-9-25(37-31(41)24-10-11-33-28(16-24)39-12-14-43-15-13-39)17-27(21)38-30-29-22(2)26(19-40(29)36-20-35-30)32(42)34-18-23-6-4-3-5-7-23/h3-11,16-17,19-20H,12-15,18H2,1-2H3,(H,34,42)(H,37,41)(H,35,36,38)
InChIKeyOVUQSBQSNYPISS-UHFFFAOYSA-N
MW576.66 g/mol
LogP4.50
Rot. Bonds8

About N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 142823381) has the molecular formula C32H32N8O3 and a molecular weight of 576.66 g/mol. Its IUPAC name is N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID142823381
Molecular FormulaC32H32N8O3
Molecular Weight576.66 g/mol
Exact Mass576.26
IUPAC NameN-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ncnn2cc(C(=O)NCc3ccccc3)c(C)c12
InChIInChI=1S/C32H32N8O3/c1-21-8-9-25(37-31(41)24-10-11-33-28(16-24)39-12-14-43-15-13-39)17-27(21)38-30-29-22(2)26(19-40(29)36-20-35-30)32(42)34-18-23-6-4-3-5-7-23/h3-11,16-17,19-20H,12-15,18H2,1-2H3,(H,34,42)(H,37,41)(H,35,36,38)
InChIKeyOVUQSBQSNYPISS-UHFFFAOYSA-N
XLogP4.50
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.66
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-5-methyl-4-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780576
5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]-N-[(1S)-1-phenylethyl]pyrrolo[1,2-c]triazine-6-carboxamide
CID 25008618
3-fluoro-N-[4-methyl-3-[[5-methyl-6-(morpholine-4-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenyl]-5-morpholin-4-ylbenzamide
CID 58780506
4-[5-[(3-fluorobenzoyl)amino]-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 59853632
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-[2-methyl-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745131
(Z)-but-2-ene;ethane;N-[3-[(5-hydroxycyclohexa-1,5-diene-1-carbonyl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 142921184
N-(furan-2-ylmethyl)-4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10181353
5-methyl-4-[2-methyl-5-[[3-(trifluoromethoxy)benzoyl]amino]anilino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 58780445
N-[3-[[6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-yl]amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 22732258
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
1-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylanilino]-8-methyl-N-(1-phenylethyl)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 71064884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 142823381) is N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ncnn2cc(C(=O)NCc3ccccc3)c(C)c12.
What is the InChIKey of N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is OVUQSBQSNYPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O3/c1-21-8-9-25(37-31(41)24-10-11-33-28(16-24)39-12-14-43-15-13-39)17-27(21)38-30-29-22(2)26(19-40(29)36-20-35-30)32(42)34-18-23-6-4-3-5-7-23/h3-11,16-17,19-20H,12-15,18H2,1-2H3,(H,34,42)(H,37,41)(H,35,36,38).
What are the key properties of N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 576.66 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-4-[2-methyl-5-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 142823381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).