(2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide

C23H27N5O2 — CID 171511762

IUPAC(2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESC=C1C[C@H](C(=O)Nc2ccc(C)c(-c3ncc4cccn4n3)c2)N(CCOC)[C@@H]1C
InChIInChI=1S/C23H27N5O2/c1-15-7-8-18(13-20(15)22-24-14-19-6-5-9-28(19)26-22)25-23(29)21-12-16(2)17(3)27(21)10-11-30-4/h5-9,13-14,17,21H,2,10-12H2,1,3-4H3,(H,25,29)/t17-,21-/m1/s1
InChIKeyRIGWVKOQQJXMMW-DYESRHJHSA-N
MW405.50 g/mol
LogP3.31
Rot. Bonds6

About (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide

(2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 171511762) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID171511762
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESC=C1C[C@H](C(=O)Nc2ccc(C)c(-c3ncc4cccn4n3)c2)N(CCOC)[C@@H]1C
InChIInChI=1S/C23H27N5O2/c1-15-7-8-18(13-20(15)22-24-14-19-6-5-9-28(19)26-22)25-23(29)21-12-16(2)17(3)27(21)10-11-30-4/h5-9,13-14,17,21H,2,10-12H2,1,3-4H3,(H,25,29)/t17-,21-/m1/s1
InChIKeyRIGWVKOQQJXMMW-DYESRHJHSA-N
XLogP3.31
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide (CID 171511762) is (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide is C=C1C[C@H](C(=O)Nc2ccc(C)c(-c3ncc4cccn4n3)c2)N(CCOC)[C@@H]1C.
What is the InChIKey of (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is RIGWVKOQQJXMMW-DYESRHJHSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-7-8-18(13-20(15)22-24-14-19-6-5-9-28(19)26-22)25-23(29)21-12-16(2)17(3)27(21)10-11-30-4/h5-9,13-14,17,21H,2,10-12H2,1,3-4H3,(H,25,29)/t17-,21-/m1/s1.
What are the key properties of (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide?
(2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-(2-methoxyethyl)-5-methyl-4-methylidene-N-(4-methyl-3-pyrrolo[2,1-f][1,2,4]triazin-2-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 171511762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).