2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol

C22H26N8O2 — CID 171552099

IUPAC2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol
SMILESCNc1nc(NC2CCC(OCCO)CC2)nn2ccc(-c3ccc4nccnc4n3)c12
InChIInChI=1S/C22H26N8O2/c1-23-21-19-16(17-6-7-18-20(27-17)25-10-9-24-18)8-11-30(19)29-22(28-21)26-14-2-4-15(5-3-14)32-13-12-31/h6-11,14-15,31H,2-5,12-13H2,1H3,(H2,23,26,28,29)
InChIKeyXVQIADLRGCRUJV-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.51
Rot. Bonds7

About 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol

2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol (PubChem CID 171552099) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol
PubChem CID171552099
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol
SMILESCNc1nc(NC2CCC(OCCO)CC2)nn2ccc(-c3ccc4nccnc4n3)c12
InChIInChI=1S/C22H26N8O2/c1-23-21-19-16(17-6-7-18-20(27-17)25-10-9-24-18)8-11-30(19)29-22(28-21)26-14-2-4-15(5-3-14)32-13-12-31/h6-11,14-15,31H,2-5,12-13H2,1H3,(H2,23,26,28,29)
InChIKeyXVQIADLRGCRUJV-UHFFFAOYSA-N
XLogP2.51
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol 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

2-[4-[[4-(methylamino)-5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol
CID 178000953
N,1-dimethyl-3-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutane-1-carboxamide
CID 171551155
1-methyl-4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxycyclohexan-1-ol
CID 171550894
2-N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-4-N-methyl-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551011
1-[4-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 171551474
1-methyl-3-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclobutan-1-ol
CID 171551508
2-[4-[(4-amino-5-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
CID 171733920
4-[[4-(methylamino)-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 171551869
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-(3-ethoxycyclobutyl)-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733676
4-[[5-[3-(2-fluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 178000721
2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
CID 170642062
2-N-[(3S,4S)-3-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-N-methyl-5-(1,5-naphthyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551735

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol?
The IUPAC name of 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol (CID 171552099) is 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol is CNc1nc(NC2CCC(OCCO)CC2)nn2ccc(-c3ccc4nccnc4n3)c12.
What is the InChIKey of 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol?
The InChIKey is XVQIADLRGCRUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-23-21-19-16(17-6-7-18-20(27-17)25-10-9-24-18)8-11-30(19)29-22(28-21)26-14-2-4-15(5-3-14)32-13-12-31/h6-11,14-15,31H,2-5,12-13H2,1H3,(H2,23,26,28,29).
What are the key properties of 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol?
2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol has a molecular weight of 434.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(methylamino)-5-pyrido[2,3-b]pyrazin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]cyclohexyl]oxyethanol is sourced from PubChem (CID 171552099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).