4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

C22H24N6O — CID 5260919

IUPAC4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(Cc2cccnc2)CC3)nc1
InChIInChI=1S/C22H24N6O/c1-2-8-24-20(5-1)21-25-19-6-9-27(15-17-4-3-7-23-14-17)16-18(19)22(26-21)28-10-12-29-13-11-28/h1-5,7-8,14H,6,9-13,15-16H2
InChIKeyXAWRVVNKNGTPGP-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.33
Rot. Bonds4

About 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine

4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (PubChem CID 5260919) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
PubChem CID5260919
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(Cc2cccnc2)CC3)nc1
InChIInChI=1S/C22H24N6O/c1-2-8-24-20(5-1)21-25-19-6-9-27(15-17-4-3-7-23-14-17)16-18(19)22(26-21)28-10-12-29-13-11-28/h1-5,7-8,14H,6,9-13,15-16H2
InChIKeyXAWRVVNKNGTPGP-UHFFFAOYSA-N
XLogP2.33
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

4-(azepan-1-yl)-6-[(3-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5260975
6-benzyl-4-morpholin-4-yl-N-quinolin-6-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 10297777
ethyl 3-(4-morpholin-4-yl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropanoate
CID 5260903
4-[6-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42870493
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
4-(6-prop-2-enyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine
CID 5261038
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
6-benzyl-N,N-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 46952503
7-(pyridin-3-ylmethyl)-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381378
4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 129255881
1-[2-pyridin-2-yl-4-(pyridin-3-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56867541
6-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707347

Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine (CID 5260919) is 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is c1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(Cc2cccnc2)CC3)nc1.
What is the InChIKey of 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is XAWRVVNKNGTPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-8-24-20(5-1)21-25-19-6-9-27(15-17-4-3-7-23-14-17)16-18(19)22(26-21)28-10-12-29-13-11-28/h1-5,7-8,14H,6,9-13,15-16H2.
What are the key properties of 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine?
4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 388.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-2-yl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 5260919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).