3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H19N5O2 — CID 86771334

IUPAC3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2c(cn1)OCCC2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H19N5O2/c23-16(14-11-13-3-1-10-24-15(13)12-20-14)21-6-8-22(9-7-21)17-18-4-2-5-19-17/h2,4-5,11-12H,1,3,6-10H2
InChIKeyYLNKCABUPUEVQJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.16
Rot. Bonds2

About 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 86771334) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID86771334
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2c(cn1)OCCC2)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H19N5O2/c23-16(14-11-13-3-1-10-24-15(13)12-20-14)21-6-8-22(9-7-21)17-18-4-2-5-19-17/h2,4-5,11-12H,1,3,6-10H2
InChIKeyYLNKCABUPUEVQJ-UHFFFAOYSA-N
XLogP1.16
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27647571
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 71789358
morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91959892
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone
CID 139001613
[5-(propan-2-ylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109271423
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 86771334) is 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2c(cn1)OCCC2)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YLNKCABUPUEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-16(14-11-13-3-1-10-24-15(13)12-20-14)21-6-8-22(9-7-21)17-18-4-2-5-19-17/h2,4-5,11-12H,1,3,6-10H2.
What are the key properties of 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 325.37 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 86771334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).