1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone

C24H40N6O2 — CID 143540661

IUPAC1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESCCCCC(CC)N1CCN(C(=O)CN2CCc3nc(N4CCOCC4)ncc3C2)CC1
InChIInChI=1S/C24H40N6O2/c1-3-5-6-21(4-2)28-9-11-29(12-10-28)23(31)19-27-8-7-22-20(18-27)17-25-24(26-22)30-13-15-32-16-14-30/h17,21H,3-16,18-19H2,1-2H3
InChIKeyYGBJSRXEAAFAEN-UHFFFAOYSA-N
MW444.62 g/mol
LogP1.78
Rot. Bonds8

About 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone

1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (PubChem CID 143540661) has the molecular formula C24H40N6O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
PubChem CID143540661
Molecular FormulaC24H40N6O2
Molecular Weight444.62 g/mol
Exact Mass444.32
IUPAC Name1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESCCCCC(CC)N1CCN(C(=O)CN2CCc3nc(N4CCOCC4)ncc3C2)CC1
InChIInChI=1S/C24H40N6O2/c1-3-5-6-21(4-2)28-9-11-29(12-10-28)23(31)19-27-8-7-22-20(18-27)17-25-24(26-22)30-13-15-32-16-14-30/h17,21H,3-16,18-19H2,1-2H3
InChIKeyYGBJSRXEAAFAEN-UHFFFAOYSA-N
XLogP1.78
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (CID 143540661) is 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is CCCCC(CC)N1CCN(C(=O)CN2CCc3nc(N4CCOCC4)ncc3C2)CC1.
What is the InChIKey of 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The InChIKey is YGBJSRXEAAFAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O2/c1-3-5-6-21(4-2)28-9-11-29(12-10-28)23(31)19-27-8-7-22-20(18-27)17-25-24(26-22)30-13-15-32-16-14-30/h17,21H,3-16,18-19H2,1-2H3.
What are the key properties of 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone has a molecular weight of 444.62 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptan-3-ylpiperazin-1-yl)-2-(2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 143540661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).