2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

C25H38N8O — CID 168765104

IUPAC2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILES[2H]CC(CCC)Oc1nc(N)c2ncc(Cc3cnc(N4CCC(CN(C)C)CC4)c(C)c3)n2n1
InChIInChI=1S/C25H38N8O/c1-6-7-18(3)34-25-29-22(26)24-28-15-21(33(24)30-25)13-20-12-17(2)23(27-14-20)32-10-8-19(9-11-32)16-31(4)5/h12,14-15,18-19H,6-11,13,16H2,1-5H3,(H2,26,29,30)/i3D
InChIKeyUSAYFRKTWWNHIF-WFVSFCRTSA-N
MW467.64 g/mol
LogP3.35
Rot. Bonds10

About 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 168765104) has the molecular formula C25H38N8O and a molecular weight of 467.64 g/mol. Its IUPAC name is 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID168765104
Molecular FormulaC25H38N8O
Molecular Weight467.64 g/mol
Exact Mass467.32
IUPAC Name2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILES[2H]CC(CCC)Oc1nc(N)c2ncc(Cc3cnc(N4CCC(CN(C)C)CC4)c(C)c3)n2n1
InChIInChI=1S/C25H38N8O/c1-6-7-18(3)34-25-29-22(26)24-28-15-21(33(24)30-25)13-20-12-17(2)23(27-14-20)32-10-8-19(9-11-32)16-31(4)5/h12,14-15,18-19H,6-11,13,16H2,1-5H3,(H2,26,29,30)/i3D
InChIKeyUSAYFRKTWWNHIF-WFVSFCRTSA-N
XLogP3.35
TPSA97.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 157021619
7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]-2-pentan-3-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 155053789
2-N-(1-deuteriopentan-2-yl)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine
CID 168765106
1-[4-[5-[[4-amino-2-[(2S)-1,1-dideuteriopentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 168765152
1-[4-[5-[[4-amino-2-(1,1-dideuteriopentan-2-yloxy)imidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 168765128
2-N-[(2S)-1,1-difluoropentan-2-yl]-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine
CID 168765153
1-[4-[5-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 155046522
1-[4-[5-[[4-amino-2-[(2R)-butan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 155046519
2-(1-methoxypropan-2-yloxy)-7-[(5-methyl-6-piperazin-1-yl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155053893
7-[(5-methoxy-6-piperazin-1-yl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 155046510
tert-butyl N-[2-[4-[5-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 162349191
1-[4-[5-[[4-amino-2-[(2S)-1,1-difluoropentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 168765134

Frequently Asked Questions

What is the IUPAC name of 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 168765104) is 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is [2H]CC(CCC)Oc1nc(N)c2ncc(Cc3cnc(N4CCC(CN(C)C)CC4)c(C)c3)n2n1.
What is the InChIKey of 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is USAYFRKTWWNHIF-WFVSFCRTSA-N. The full InChI is InChI=1S/C25H38N8O/c1-6-7-18(3)34-25-29-22(26)24-28-15-21(33(24)30-25)13-20-12-17(2)23(27-14-20)32-10-8-19(9-11-32)16-31(4)5/h12,14-15,18-19H,6-11,13,16H2,1-5H3,(H2,26,29,30)/i3D.
What are the key properties of 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 467.64 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-deuteriopentan-2-yloxy)-7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 168765104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).