5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one

C22H25N5O3 — CID 137125492

IUPAC5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCC(CO)C3)c12
InChIInChI=1S/C22H25N5O3/c28-13-15-5-6-27(12-15)21-20-19(23-14-24-22(20)29)11-18(25-21)16-1-3-17(4-2-16)26-7-9-30-10-8-26/h1-4,11,14-15,28H,5-10,12-13H2,(H,23,24,29)
InChIKeyVHIZWQDPAFTNSX-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.64
Rot. Bonds4

About 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one

5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 137125492) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID137125492
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCC(CO)C3)c12
InChIInChI=1S/C22H25N5O3/c28-13-15-5-6-27(12-15)21-20-19(23-14-24-22(20)29)11-18(25-21)16-1-3-17(4-2-16)26-7-9-30-10-8-26/h1-4,11,14-15,28H,5-10,12-13H2,(H,23,24,29)
InChIKeyVHIZWQDPAFTNSX-UHFFFAOYSA-N
XLogP1.64
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-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

5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959325
7-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959403
5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959331
5-(3-aminopropylamino)-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870859
7-[4-(2-aminopropan-2-yl)phenyl]-5-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 77211623
(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid
CID 71113836
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958068
4-[4-[5-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)pyrido[3,4-b]pyrazin-7-yl]phenyl]morpholine
CID 71113776
[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177173832
7-chloro-5-(4-morpholin-4-ylanilino)-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135870849
5-(2-hydroxyethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959821

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one (CID 137125492) is 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one is O=c1[nH]cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCC(CO)C3)c12.
What is the InChIKey of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VHIZWQDPAFTNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-13-15-5-6-27(12-15)21-20-19(23-14-24-22(20)29)11-18(25-21)16-1-3-17(4-2-16)26-7-9-30-10-8-26/h1-4,11,14-15,28H,5-10,12-13H2,(H,23,24,29).
What are the key properties of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 407.47 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-(4-morpholin-4-ylphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137125492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).