2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one

C25H25N5O4 — CID 175827730

IUPAC2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC(O)CO)nc2c(-c3cccnc3)nc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C25H25N5O4/c31-15-19(32)12-22-28-24-20(25(33)29-22)13-21(27-23(24)17-2-1-7-26-14-17)16-3-5-18(6-4-16)30-8-10-34-11-9-30/h1-7,13-14,19,31-32H,8-12,15H2,(H,28,29,33)
InChIKeyHENAWRQGBKXIDP-UHFFFAOYSA-N
MW459.51 g/mol
LogP1.78
Rot. Bonds6

About 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one

2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 175827730) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID175827730
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CC(O)CO)nc2c(-c3cccnc3)nc(-c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C25H25N5O4/c31-15-19(32)12-22-28-24-20(25(33)29-22)13-21(27-23(24)17-2-1-7-26-14-17)16-3-5-18(6-4-16)30-8-10-34-11-9-30/h1-7,13-14,19,31-32H,8-12,15H2,(H,28,29,33)
InChIKeyHENAWRQGBKXIDP-UHFFFAOYSA-N
XLogP1.78
TPSA124.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,3-dihydroxypropyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 175827717
3-(1-aminopropan-2-yl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 156891932
4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
7-[(4-morpholin-4-ylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681121
4-morpholin-4-yl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 126854137
8-(4-chlorophenyl)-3-(1-hydroxypropan-2-yl)-6-pyridin-3-ylpyrido[3,4-d]pyrimidin-4-one
CID 156891887
2-amino-6-(4-morpholin-4-ylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136501828
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
2-(6-ethyl-3-pyridinyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604021
5-[[(2R)-2,3-dihydroxypropyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959825
4-[4-(1,6-naphthyridin-7-yl)phenyl]morpholine
CID 91552475

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one (CID 175827730) is 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(CC(O)CO)nc2c(-c3cccnc3)nc(-c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HENAWRQGBKXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c31-15-19(32)12-22-28-24-20(25(33)29-22)13-21(27-23(24)17-2-1-7-26-14-17)16-3-5-18(6-4-16)30-8-10-34-11-9-30/h1-7,13-14,19,31-32H,8-12,15H2,(H,28,29,33).
What are the key properties of 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 459.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-6-(4-morpholin-4-ylphenyl)-8-pyridin-3-yl-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 175827730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).