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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

C27H42N8O — CID 157021619

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-[[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
SMILESCCCC(CCC)Oc1nc(N)c2ncc(Cc3cnc(N4CCC(CN(C)C)CC4)c(C)c3)n2n1
InChIInChI=1S/C27H42N8O/c1-6-8-23(9-7-2)36-27-31-24(28)26-30-17-22(35(26)32-27)15-21-14-19(3)25(29-16-21)34-12-10-20(11-13-34)18-33(4)5/h14,16-17,20,23H,6-13,15,18H2,1-5H3,(H2,28,31,32)
InChIKeyQVORAFUIMNKXGM-UHFFFAOYSA-N
MW494.69 g/mol
LogP4.13
Rot. Bonds11

About 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

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 (PubChem CID 157021619) has the molecular formula C27H42N8O and a molecular weight of 494.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID157021619
Molecular FormulaC27H42N8O
Molecular Weight494.69 g/mol
Exact Mass494.35
IUPAC Name7-[[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
SMILESCCCC(CCC)Oc1nc(N)c2ncc(Cc3cnc(N4CCC(CN(C)C)CC4)c(C)c3)n2n1
InChIInChI=1S/C27H42N8O/c1-6-8-23(9-7-2)36-27-31-24(28)26-30-17-22(35(26)32-27)15-21-14-19(3)25(29-16-21)34-12-10-20(11-13-34)18-33(4)5/h14,16-17,20,23H,6-13,15,18H2,1-5H3,(H2,28,31,32)
InChIKeyQVORAFUIMNKXGM-UHFFFAOYSA-N
XLogP4.13
TPSA97.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.69
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC(CCC)Oc1nc(N)c2ncc(Cc3cnc(N4CCC(CN(C)C)CC4)c(C)c3)n2n1.
What is the InChIKey of 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?
The InChIKey is QVORAFUIMNKXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N8O/c1-6-8-23(9-7-2)36-27-31-24(28)26-30-17-22(35(26)32-27)15-21-14-19(3)25(29-16-21)34-12-10-20(11-13-34)18-33(4)5/h14,16-17,20,23H,6-13,15,18H2,1-5H3,(H2,28,31,32).
What are the key properties of 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?
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 has a molecular weight of 494.69 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157021619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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