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

C21H23N7O2 — CID 135963140

IUPAC7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccnc(N3CCOCC3)n1)C2
InChIInChI=1S/C21H23N7O2/c29-20-17-4-7-27(14-18(17)25-19(26-20)15-2-1-5-22-12-15)13-16-3-6-23-21(24-16)28-8-10-30-11-9-28/h1-3,5-6,12H,4,7-11,13-14H2,(H,25,26,29)
InChIKeyLTSJKAAXNMQXJO-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.02
Rot. Bonds4

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

7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135963140) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135963140
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccnc(N3CCOCC3)n1)C2
InChIInChI=1S/C21H23N7O2/c29-20-17-4-7-27(14-18(17)25-19(26-20)15-2-1-5-22-12-15)13-16-3-6-23-21(24-16)28-8-10-30-11-9-28/h1-3,5-6,12H,4,7-11,13-14H2,(H,25,26,29)
InChIKeyLTSJKAAXNMQXJO-UHFFFAOYSA-N
XLogP1.02
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

7-[(4-morpholin-4-ylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681121
2-pyridin-3-yl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867269
7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864449
7-[(3,5-dihydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865227
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867209
7-[(2,3-difluorophenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135920415
7-[(2-chloro-3-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864189
7-[(3,4-diethoxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865008
7-[(4-oxochromen-3-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681146
2-pyridin-3-yl-6-(1,3-thiazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942609
7-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681181
7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681187

Frequently Asked Questions

What is the IUPAC name of 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135963140) is 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccnc(N3CCOCC3)n1)C2.
What is the InChIKey of 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LTSJKAAXNMQXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c29-20-17-4-7-27(14-18(17)25-19(26-20)15-2-1-5-22-12-15)13-16-3-6-23-21(24-16)28-8-10-30-11-9-28/h1-3,5-6,12H,4,7-11,13-14H2,(H,25,26,29).
What are the key properties of 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 405.46 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135963140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).