2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one

C20H17Cl2N9O — CID 144557996

IUPAC2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCN(Cc1nn2ccc(Cl)c2c(=O)n1-c1ccccc1)c1nc(N)nc2c(Cl)cnn12
InChIInChI=1S/C20H17Cl2N9O/c1-2-28(20-26-19(23)25-17-14(22)10-24-31(17)20)11-15-27-29-9-8-13(21)16(29)18(32)30(15)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,23,25)
InChIKeyJFVYLJXMVNOWPQ-UHFFFAOYSA-N
MW470.32 g/mol
LogP2.84
Rot. Bonds5

About 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one

2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 144557996) has the molecular formula C20H17Cl2N9O and a molecular weight of 470.32 g/mol. Its IUPAC name is 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID144557996
Molecular FormulaC20H17Cl2N9O
Molecular Weight470.32 g/mol
Exact Mass469.09
IUPAC Name2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCN(Cc1nn2ccc(Cl)c2c(=O)n1-c1ccccc1)c1nc(N)nc2c(Cl)cnn12
InChIInChI=1S/C20H17Cl2N9O/c1-2-28(20-26-19(23)25-17-14(22)10-24-31(17)20)11-15-27-29-9-8-13(21)16(29)18(32)30(15)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,23,25)
InChIKeyJFVYLJXMVNOWPQ-UHFFFAOYSA-N
XLogP2.84
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one 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

5-chloro-2-ethyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557981
2-[[[6-amino-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557890
2-amino-4-[(5-chloro-4-oxo-3-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-ethylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
CID 144557883
2-amino-4-[(8-chloro-1-oxo-2-phenylpyrrolo[1,2-a]pyrazin-3-yl)methyl-ethylamino]pyrimidine-5-carbonitrile
CID 90064224
5-chloro-2-methylsulfanyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 145128508
tert-butyl N-[(5-chloro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl]-N-[(2S)-2-(2-methoxyethoxy)butyl]carbamate
CID 144558052
5-chloro-2-[[2-fluoropropyl(7H-purin-6-yl)amino]methyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144557880
2-amino-4-[(5-fluoro-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)methyl-propylamino]-7,8-dihydro-6H-pyrido[2,3-d]pyrimidin-5-one
CID 144558139
2-[(2S)-1-(5-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl)azetidin-2-yl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one;sulfane
CID 159121552
5-methyl-3-phenyl-2-propylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134446028
2-[(2S)-1-(2-amino-6-methylpyrimidin-4-yl)azetidin-2-yl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 118445921
2-[(2S,3S)-1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-3-methylazetidin-2-yl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one;sulfane
CID 161011337

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 144557996) is 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is CCN(Cc1nn2ccc(Cl)c2c(=O)n1-c1ccccc1)c1nc(N)nc2c(Cl)cnn12.
What is the InChIKey of 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is JFVYLJXMVNOWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N9O/c1-2-28(20-26-19(23)25-17-14(22)10-24-31(17)20)11-15-27-29-9-8-13(21)16(29)18(32)30(15)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,23,25).
What are the key properties of 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 470.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-8-chloropyrazolo[1,5-a][1,3,5]triazin-4-yl)-ethylamino]methyl]-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 144557996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).