3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one

C23H27N5O3 — CID 66959608

IUPAC3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC[C@H]3CCNC3)c2c1=O
InChIInChI=1S/C23H27N5O3/c1-27-15-25-20-12-19(17-2-4-18(5-3-17)28-8-10-30-11-9-28)26-22(21(20)23(27)29)31-14-16-6-7-24-13-16/h2-5,12,15-16,24H,6-11,13-14H2,1H3/t16-/m0/s1
InChIKeyIOKVGACIIFEGCU-INIZCTEOSA-N
MW421.50 g/mol
LogP1.82
Rot. Bonds5

About 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959608) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959608
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC[C@H]3CCNC3)c2c1=O
InChIInChI=1S/C23H27N5O3/c1-27-15-25-20-12-19(17-2-4-18(5-3-17)28-8-10-30-11-9-28)26-22(21(20)23(27)29)31-14-16-6-7-24-13-16/h2-5,12,15-16,24H,6-11,13-14H2,1H3/t16-/m0/s1
InChIKeyIOKVGACIIFEGCU-INIZCTEOSA-N
XLogP1.82
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one (CID 66959608) is 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC[C@H]3CCNC3)c2c1=O.
What is the InChIKey of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IOKVGACIIFEGCU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27-15-25-20-12-19(17-2-4-18(5-3-17)28-8-10-30-11-9-28)26-22(21(20)23(27)29)31-14-16-6-7-24-13-16/h2-5,12,15-16,24H,6-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 421.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).