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

C24H35N9O2 — CID 155046522

IUPAC1-[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
SMILESCCC[C@H](C)Oc1nc(N)c2ncc(Cc3cnc(N4CCN(C(=O)CNC)CC4)c(C)c3)n2n1
InChIInChI=1S/C24H35N9O2/c1-5-6-17(3)35-24-29-21(25)23-28-14-19(33(23)30-24)12-18-11-16(2)22(27-13-18)32-9-7-31(8-10-32)20(34)15-26-4/h11,13-14,17,26H,5-10,12,15H2,1-4H3,(H2,25,29,30)/t17-/m0/s1
InChIKeyZWDMVVGPCNBLJV-KRWDZBQOSA-N
MW481.61 g/mol
LogP1.44
Rot. Bonds9

About 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

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 (PubChem CID 155046522) has the molecular formula C24H35N9O2 and a molecular weight of 481.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID155046522
Molecular FormulaC24H35N9O2
Molecular Weight481.61 g/mol
Exact Mass481.29
IUPAC Name1-[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
SMILESCCC[C@H](C)Oc1nc(N)c2ncc(Cc3cnc(N4CCN(C(=O)CNC)CC4)c(C)c3)n2n1
InChIInChI=1S/C24H35N9O2/c1-5-6-17(3)35-24-29-21(25)23-28-14-19(33(23)30-24)12-18-11-16(2)22(27-13-18)32-9-7-31(8-10-32)20(34)15-26-4/h11,13-14,17,26H,5-10,12,15H2,1-4H3,(H2,25,29,30)/t17-/m0/s1
InChIKeyZWDMVVGPCNBLJV-KRWDZBQOSA-N
XLogP1.44
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

1-[4-[5-[(4-amino-2-butoxyimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 157021725
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
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
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-(heptan-4-ylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 157021828
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
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
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
(2S,3S)-2-amino-1-[4-[5-[(4-amino-2-butoxyimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-3-methylpentan-1-one
CID 155053763
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
(2S)-2-amino-1-[4-[5-[(4-amino-2-butoxyimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-3-methyl-2-pyridinyl]piperazin-1-yl]-4-methylpentan-1-one
CID 155046449
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC[C@H](C)Oc1nc(N)c2ncc(Cc3cnc(N4CCN(C(=O)CNC)CC4)c(C)c3)n2n1.
What is the InChIKey of 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?
The InChIKey is ZWDMVVGPCNBLJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H35N9O2/c1-5-6-17(3)35-24-29-21(25)23-28-14-19(33(23)30-24)12-18-11-16(2)22(27-13-18)32-9-7-31(8-10-32)20(34)15-26-4/h11,13-14,17,26H,5-10,12,15H2,1-4H3,(H2,25,29,30)/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 481.61 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155046522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).