N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide

C26H24N6O2 — CID 118696891

IUPACN-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2cc3c(N4CC(C(=O)Nc5ccc(C#N)cc5)C4)ncnn3c2)cc1
InChIInChI=1S/C26H24N6O2/c1-17(2)34-23-9-5-19(6-10-23)20-11-24-25(28-16-29-32(24)15-20)31-13-21(14-31)26(33)30-22-7-3-18(12-27)4-8-22/h3-11,15-17,21H,13-14H2,1-2H3,(H,30,33)
InChIKeyJHEFYPRNTJNWQS-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.13
Rot. Bonds6

About N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide

N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide (PubChem CID 118696891) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
PubChem CID118696891
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC NameN-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2cc3c(N4CC(C(=O)Nc5ccc(C#N)cc5)C4)ncnn3c2)cc1
InChIInChI=1S/C26H24N6O2/c1-17(2)34-23-9-5-19(6-10-23)20-11-24-25(28-16-29-32(24)15-20)31-13-21(14-31)26(33)30-22-7-3-18(12-27)4-8-22/h3-11,15-17,21H,13-14H2,1-2H3,(H,30,33)
InChIKeyJHEFYPRNTJNWQS-UHFFFAOYSA-N
XLogP4.13
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-1-[6-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118696889
N-[(1S)-1-(4-chlorophenyl)propyl]-1-[6-[4-[(1R)-1,2-dihydroxyethyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118697035
N-benzyl-1-[6-[4-(dimethylcarbamoyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 145015033
N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118696919
cyclopropyl-[3-[6-(1-propan-2-ylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 164573030
1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143641
1-[6-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 118696978
1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 58770571
6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487439
N-[(4-methylphenyl)methyl]-1-[6-(2-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118696805
N-(4-cyanophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513246
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide (CID 118696891) is N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide is CC(C)Oc1ccc(-c2cc3c(N4CC(C(=O)Nc5ccc(C#N)cc5)C4)ncnn3c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide?
The InChIKey is JHEFYPRNTJNWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-17(2)34-23-9-5-19(6-10-23)20-11-24-25(28-16-29-32(24)15-20)31-13-21(14-31)26(33)30-22-7-3-18(12-27)4-8-22/h3-11,15-17,21H,13-14H2,1-2H3,(H,30,33).
What are the key properties of N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide?
N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-[6-(4-propan-2-yloxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 118696891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).