7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one

C22H25N7O2 — CID 136624617

IUPAC7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESC=C1CCCN(c2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)nc3)n2)C1
InChIInChI=1S/C22H25N7O2/c1-15-3-2-6-29(13-15)19-11-17-20(22(30)25-14-24-17)21(27-19)26-16-4-5-18(23-12-16)28-7-9-31-10-8-28/h4-5,11-12,14H,1-3,6-10,13H2,(H,26,27)(H,24,25,30)
InChIKeyAAZUFGRHAOGFNZ-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.45
Rot. Bonds4

About 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one

7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136624617) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136624617
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESC=C1CCCN(c2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)nc3)n2)C1
InChIInChI=1S/C22H25N7O2/c1-15-3-2-6-29(13-15)19-11-17-20(22(30)25-14-24-17)21(27-19)26-16-4-5-18(23-12-16)28-7-9-31-10-8-28/h4-5,11-12,14H,1-3,6-10,13H2,(H,26,27)(H,24,25,30)
InChIKeyAAZUFGRHAOGFNZ-UHFFFAOYSA-N
XLogP2.45
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870849
5-(4-morpholin-4-ylanilino)-7-(pyridin-4-ylmethylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870882
3-[[5-(4-morpholin-4-ylanilino)-4-oxo-3H-pyrido[4,3-d]pyrimidin-7-yl]amino]benzamide
CID 135870890
6-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887642
N-(6-morpholin-4-yl-3-pyridinyl)-6-quinazolin-6-ylimidazo[1,2-a]pyrazin-8-amine
CID 141271386
N-(1-cyclopentylethyl)-6-morpholin-4-ylpyridin-3-amine
CID 62631562
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
CID 123798843
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870859
N-(1H-imidazol-5-ylmethyl)-6-morpholin-4-ylpyridin-3-amine
CID 62761397
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

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136624617) is 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one is C=C1CCCN(c2cc3nc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)nc3)n2)C1.
What is the InChIKey of 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AAZUFGRHAOGFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-15-3-2-6-29(13-15)19-11-17-20(22(30)25-14-24-17)21(27-19)26-16-4-5-18(23-12-16)28-7-9-31-10-8-28/h4-5,11-12,14H,1-3,6-10,13H2,(H,26,27)(H,24,25,30).
What are the key properties of 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one?
7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 419.49 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylidenepiperidin-1-yl)-5-[(6-morpholin-4-yl-3-pyridinyl)amino]-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136624617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).