1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one

C19H23N5O2 — CID 70723953

IUPAC1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C19H23N5O2/c25-18(2-1-15-3-6-20-7-4-15)24-8-5-16-17(13-24)21-14-22-19(16)23-9-11-26-12-10-23/h3-4,6-7,14H,1-2,5,8-13H2
InChIKeyNXHTVCLANWDRMG-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.23
Rot. Bonds4

About 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one

1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 70723953) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID70723953
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCc2c(ncnc2N2CCOCC2)C1
InChIInChI=1S/C19H23N5O2/c25-18(2-1-15-3-6-20-7-4-15)24-8-5-16-17(13-24)21-14-22-19(16)23-9-11-26-12-10-23/h3-4,6-7,14H,1-2,5,8-13H2
InChIKeyNXHTVCLANWDRMG-UHFFFAOYSA-N
XLogP1.23
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one (CID 70723953) is 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)N1CCc2c(ncnc2N2CCOCC2)C1.
What is the InChIKey of 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is NXHTVCLANWDRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(2-1-15-3-6-20-7-4-15)24-8-5-16-17(13-24)21-14-22-19(16)23-9-11-26-12-10-23/h3-4,6-7,14H,1-2,5,8-13H2.
What are the key properties of 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one?
1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 353.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 70723953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).