5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one

C23H27N5O3 — CID 50923117

IUPAC5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(OCCN4CCOCC4)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C23H27N5O3/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-17-4-5-17)16-2-6-18(7-3-16)31-13-10-28-8-11-30-12-9-28/h2-3,6-7,14-15,17H,4-5,8-13H2,1H3,(H,25,26)
InChIKeyIRCSBLBJGMJRFK-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.28
Rot. Bonds7

About 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923117) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923117
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(OCCN4CCOCC4)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C23H27N5O3/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-17-4-5-17)16-2-6-18(7-3-16)31-13-10-28-8-11-30-12-9-28/h2-3,6-7,14-15,17H,4-5,8-13H2,1H3,(H,25,26)
InChIKeyIRCSBLBJGMJRFK-UHFFFAOYSA-N
XLogP2.28
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 50923117) is 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(OCCN4CCOCC4)cc3)nc(NC3CC3)c2c1=O.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IRCSBLBJGMJRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27-15-24-20-14-19(26-22(21(20)23(27)29)25-17-4-5-17)16-2-6-18(7-3-16)31-13-10-28-8-11-30-12-9-28/h2-3,6-7,14-15,17H,4-5,8-13H2,1H3,(H,25,26).
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 421.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).