7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C22H18N4O3 — CID 136681146

IUPAC7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1coc3ccccc3c1=O)C2
InChIInChI=1S/C22H18N4O3/c27-20-15(13-29-19-6-2-1-5-17(19)20)11-26-9-7-16-18(12-26)24-21(25-22(16)28)14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,24,25,28)
InChIKeyPAVTUKSULCBHDD-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.50
Rot. Bonds3

About 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136681146) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136681146
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1coc3ccccc3c1=O)C2
InChIInChI=1S/C22H18N4O3/c27-20-15(13-29-19-6-2-1-5-17(19)20)11-26-9-7-16-18(12-26)24-21(25-22(16)28)14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,24,25,28)
InChIKeyPAVTUKSULCBHDD-UHFFFAOYSA-N
XLogP2.50
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864449
6-[(6-nitro-4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942149
2-pyridin-3-yl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867269
7-[(2,3-difluorophenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135920415
6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916495
7-[(2-chloro-3-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864189
7-[(3,5-dihydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865227
2-(furan-2-yl)-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861405
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867209
7-[(4-morpholin-4-ylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681121
2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861400
2-[(3R)-3-methylpiperidin-1-yl]-7-[(4-oxochromen-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798366

Frequently Asked Questions

What is the IUPAC name of 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136681146) is 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1coc3ccccc3c1=O)C2.
What is the InChIKey of 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PAVTUKSULCBHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-20-15(13-29-19-6-2-1-5-17(19)20)11-26-9-7-16-18(12-26)24-21(25-22(16)28)14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,24,25,28).
What are the key properties of 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 386.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).