5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C22H27N5O3 — CID 66959216

IUPAC5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCOCC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H27N5O3/c1-15(13-29-3)24-21-20-19(23-14-26(2)22(20)28)12-18(25-21)16-4-6-17(7-5-16)27-8-10-30-11-9-27/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,24,25)
InChIKeyDMKBRZKLAVEPDK-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.28
Rot. Bonds6

About 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959216) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959216
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCOCC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H27N5O3/c1-15(13-29-3)24-21-20-19(23-14-26(2)22(20)28)12-18(25-21)16-4-6-17(7-5-16)27-8-10-30-11-9-27/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,24,25)
InChIKeyDMKBRZKLAVEPDK-UHFFFAOYSA-N
XLogP2.28
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
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-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959216) is 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is COCC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DMKBRZKLAVEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15(13-29-3)24-21-20-19(23-14-26(2)22(20)28)12-18(25-21)16-4-6-17(7-5-16)27-8-10-30-11-9-27/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,24,25).
What are the key properties of 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 409.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-ylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).