4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine

C20H25N5OS — CID 97362314

IUPAC4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
SMILESc1csc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)c1
InChIInChI=1S/C20H25N5OS/c1-2-18(27-13-1)15-23-7-5-16(6-8-23)20-21-19-4-3-17(14-25(19)22-20)24-9-11-26-12-10-24/h1-4,13-14,16H,5-12,15H2
InChIKeyBMBYYQMIJZUDCP-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.01
Rot. Bonds4

About 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine

4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine (PubChem CID 97362314) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
PubChem CID97362314
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
SMILESc1csc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)c1
InChIInChI=1S/C20H25N5OS/c1-2-18(27-13-1)15-23-7-5-16(6-8-23)20-21-19-4-3-17(14-25(19)22-20)24-9-11-26-12-10-24/h1-4,13-14,16H,5-12,15H2
InChIKeyBMBYYQMIJZUDCP-UHFFFAOYSA-N
XLogP3.01
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[1-(furan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 97362315
4-[2-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131670840
N,N-dimethyl-2-[4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]acetamide
CID 97447809
4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131669080
1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 131671565
4-[2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695646
4-[2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131669076
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828673
N,N-dimethyl-4-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171672567
4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155848353
4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine
CID 170626595
[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 131669075

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine?
The IUPAC name of 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine (CID 97362314) is 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine is c1csc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)c1.
What is the InChIKey of 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine?
The InChIKey is BMBYYQMIJZUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-2-18(27-13-1)15-23-7-5-16(6-8-23)20-21-19-4-3-17(14-25(19)22-20)24-9-11-26-12-10-24/h1-4,13-14,16H,5-12,15H2.
What are the key properties of 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine?
4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine has a molecular weight of 383.52 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine is sourced from PubChem (CID 97362314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).