1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one

C23H27N7O2 — CID 118456708

IUPAC1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1
InChIInChI=1S/C23H27N7O2/c1-2-22(31)29-7-3-4-17(14-29)18-12-20(23-25-16-26-30(23)15-18)27-21-6-5-19(13-24-21)28-8-10-32-11-9-28/h2,5-6,12-13,15-17H,1,3-4,7-11,14H2,(H,24,27)
InChIKeyHTIFKSLSQQTCSN-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.60
Rot. Bonds5

About 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one

1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 118456708) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one
PubChem CID118456708
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1
InChIInChI=1S/C23H27N7O2/c1-2-22(31)29-7-3-4-17(14-29)18-12-20(23-25-16-26-30(23)15-18)27-21-6-5-19(13-24-21)28-8-10-32-11-9-28/h2,5-6,12-13,15-17H,1,3-4,7-11,14H2,(H,24,27)
InChIKeyHTIFKSLSQQTCSN-UHFFFAOYSA-N
XLogP2.60
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

acetic acid;1-[3-[8-[(6-methoxypyridazin-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 162333508
N-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]cyclopent-3-en-1-yl]formamide
CID 144945612
tert-butyl (3R)-3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 118466874
1-[3-[6-[4-(4-methylpiperazin-1-yl)anilino]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 122475129
1-[3-[8-[(1-methylpyrazol-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 118456726
N-[[3-[8-(4-morpholin-4-ylanilino)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]methyl]prop-2-enamide
CID 118467002
1-[(3S)-3-[[7-fluoro-3-hydroxy-4-(4-morpholin-4-ylanilino)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl]amino]azepan-1-yl]prop-2-en-1-one
CID 154991959
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548
1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one
CID 68767381
2-cyclohexyl-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 43049107
methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
CID 67404315
1-[3-[[4-(morpholin-4-ylmethyl)-6-(pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 156562934

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one (CID 118456708) is 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1.
What is the InChIKey of 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is HTIFKSLSQQTCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-2-22(31)29-7-3-4-17(14-29)18-12-20(23-25-16-26-30(23)15-18)27-21-6-5-19(13-24-21)28-8-10-32-11-9-28/h2,5-6,12-13,15-17H,1,3-4,7-11,14H2,(H,24,27).
What are the key properties of 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one?
1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 433.52 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-[(5-morpholin-4-yl-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 118456708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).