methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate

C25H24N8O2 — CID 59420937

IUPACmethyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(n2cc(-c3cnc4ncc(Cc5ccc6ncccc6c5)n4n3)cn2)CC1
InChIInChI=1S/C25H24N8O2/c1-35-25(34)31-9-6-20(7-10-31)32-16-19(13-29-32)23-15-28-24-27-14-21(33(24)30-23)12-17-4-5-22-18(11-17)3-2-8-26-22/h2-5,8,11,13-16,20H,6-7,9-10,12H2,1H3
InChIKeyGCQFDGWFZLQERC-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.53
Rot. Bonds4

About methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate

methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 59420937) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID59420937
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Namemethyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(n2cc(-c3cnc4ncc(Cc5ccc6ncccc6c5)n4n3)cn2)CC1
InChIInChI=1S/C25H24N8O2/c1-35-25(34)31-9-6-20(7-10-31)32-16-19(13-29-32)23-15-28-24-27-14-21(33(24)30-23)12-17-4-5-22-18(11-17)3-2-8-26-22/h2-5,8,11,13-16,20H,6-7,9-10,12H2,1H3
InChIKeyGCQFDGWFZLQERC-UHFFFAOYSA-N
XLogP3.53
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate (CID 59420937) is methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate is COC(=O)N1CCC(n2cc(-c3cnc4ncc(Cc5ccc6ncccc6c5)n4n3)cn2)CC1.
What is the InChIKey of methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is GCQFDGWFZLQERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-35-25(34)31-9-6-20(7-10-31)32-16-19(13-29-32)23-15-28-24-27-14-21(33(24)30-23)12-17-4-5-22-18(11-17)3-2-8-26-22/h2-5,8,11,13-16,20H,6-7,9-10,12H2,1H3.
What are the key properties of methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate?
methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 468.52 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59420937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).