5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one

C23H23N7O2 — CID 135870882

IUPAC5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(NCc3ccncc3)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C23H23N7O2/c31-23-21-19(26-15-27-23)13-20(25-14-16-5-7-24-8-6-16)29-22(21)28-17-1-3-18(4-2-17)30-9-11-32-12-10-30/h1-8,13,15H,9-12,14H2,(H2,25,28,29)(H,26,27,31)
InChIKeyDQDOFWSJBCEJOI-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.91
Rot. Bonds6

About 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one

5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135870882) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135870882
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(NCc3ccncc3)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C23H23N7O2/c31-23-21-19(26-15-27-23)13-20(25-14-16-5-7-24-8-6-16)29-22(21)28-17-1-3-18(4-2-17)30-9-11-32-12-10-30/h1-8,13,15H,9-12,14H2,(H2,25,28,29)(H,26,27,31)
InChIKeyDQDOFWSJBCEJOI-UHFFFAOYSA-N
XLogP2.91
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870849
3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide
CID 135870890
5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870859
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
2-(4-hydroxypiperidin-1-yl)-4-(4-morpholin-4-ylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494192
7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136624617
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
CID 123798843
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one
CID 66887970

Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135870882) is 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one is O=c1[nH]cnc2cc(NCc3ccncc3)nc(Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DQDOFWSJBCEJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c31-23-21-19(26-15-27-23)13-20(25-14-16-5-7-24-8-6-16)29-22(21)28-17-1-3-18(4-2-17)30-9-11-32-12-10-30/h1-8,13,15H,9-12,14H2,(H2,25,28,29)(H,26,27,31).
What are the key properties of 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one?
5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 429.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135870882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).