tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate

C28H34FN7O3 — CID 59391789

IUPACtert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate
SMILESCOCCC1(c2nc(-c3ccc4ncnn4c3)c(-c3ccc(F)c(C)n3)[nH]2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C28H34FN7O3/c1-18-20(29)7-8-21(32-18)24-23(19-6-9-22-30-17-31-36(22)16-19)33-25(34-24)28(12-15-38-5)10-13-35(14-11-28)26(37)39-27(2,3)4/h6-9,16-17H,10-15H2,1-5H3,(H,33,34)
InChIKeyKJNDYWXQFBCBPD-UHFFFAOYSA-N
MW535.62 g/mol
LogP4.93
Rot. Bonds6

About tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate

tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate (PubChem CID 59391789) has the molecular formula C28H34FN7O3 and a molecular weight of 535.62 g/mol. Its IUPAC name is tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate
PubChem CID59391789
Molecular FormulaC28H34FN7O3
Molecular Weight535.62 g/mol
Exact Mass535.27
IUPAC Nametert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate
SMILESCOCCC1(c2nc(-c3ccc4ncnn4c3)c(-c3ccc(F)c(C)n3)[nH]2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C28H34FN7O3/c1-18-20(29)7-8-21(32-18)24-23(19-6-9-22-30-17-31-36(22)16-19)33-25(34-24)28(12-15-38-5)10-13-35(14-11-28)26(37)39-27(2,3)4/h6-9,16-17H,10-15H2,1-5H3,(H,33,34)
InChIKeyKJNDYWXQFBCBPD-UHFFFAOYSA-N
XLogP4.93
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.62
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate (CID 59391789) is tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate is COCCC1(c2nc(-c3ccc4ncnn4c3)c(-c3ccc(F)c(C)n3)[nH]2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate?
The InChIKey is KJNDYWXQFBCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN7O3/c1-18-20(29)7-8-21(32-18)24-23(19-6-9-22-30-17-31-36(22)16-19)33-25(34-24)28(12-15-38-5)10-13-35(14-11-28)26(37)39-27(2,3)4/h6-9,16-17H,10-15H2,1-5H3,(H,33,34).
What are the key properties of tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate?
tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate has a molecular weight of 535.62 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(5-fluoro-6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-4-(2-methoxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 59391789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).