[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone

C18H20N6O3 — CID 71225302

IUPAC[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCOc1cc(-c2cc(C(=O)N3CCC(O)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C18H20N6O3/c1-27-15-8-11(2-5-20-15)14-9-13(16-17(19)21-10-22-24(14)16)18(26)23-6-3-12(25)4-7-23/h2,5,8-10,12,25H,3-4,6-7H2,1H3,(H2,19,21,22)
InChIKeySWDWFHCWEZBKFO-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.98
Rot. Bonds3

About [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone

[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 71225302) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID71225302
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCOc1cc(-c2cc(C(=O)N3CCC(O)CC3)c3c(N)ncnn23)ccn1
InChIInChI=1S/C18H20N6O3/c1-27-15-8-11(2-5-20-15)14-9-13(16-17(19)21-10-22-24(14)16)18(26)23-6-3-12(25)4-7-23/h2,5,8-10,12,25H,3-4,6-7H2,1H3,(H2,19,21,22)
InChIKeySWDWFHCWEZBKFO-UHFFFAOYSA-N
XLogP0.98
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone 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

1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497
US10774086, Example 24
CID 139465947
ethyl N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]carbamate
CID 68231238
4-Methyl-2-pyridin-2-yl-pyrimidine-5-carboxylic acid (5-methoxy-3-methyl-pyrrolo[3,2-b]pyridin-1-yl)-amide
CID 59200042
US10774086, Example 19
CID 134551554
US10774086, Example 23
CID 134551595
4-amino-N-[4-[(2-hydroxy-2-methylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 53390933
4-amino-N-[4-[(2,2-dimethyl-3-pyrrolidin-1-ylpropanoyl)amino]cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225007
4-amino-N-[4-(hydroxymethyl)cyclohexyl]-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225068
4-amino-N-(4-hydroxycyclohexyl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225108
4-amino-7-(2-methoxy-4-pyridinyl)-N-[(3S)-oxolan-3-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225247
4-[[4-Amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 71225257

Frequently Asked Questions

What is the IUPAC name of [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone (CID 71225302) is [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone is COc1cc(-c2cc(C(=O)N3CCC(O)CC3)c3c(N)ncnn23)ccn1.
What is the InChIKey of [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is SWDWFHCWEZBKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-27-15-8-11(2-5-20-15)14-9-13(16-17(19)21-10-22-24(14)16)18(26)23-6-3-12(25)4-7-23/h2,5,8-10,12,25H,3-4,6-7H2,1H3,(H2,19,21,22).
What are the key properties of [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone?
[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 368.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71225302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).