5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C23H21BrN6O — CID 10005239

IUPAC5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(Cc3ccccc3Br)c12
InChIInChI=1S/C23H21BrN6O/c24-18-4-2-1-3-15(18)11-17-12-19(29-23-21(17)22(25)27-14-28-23)16-5-6-20(26-13-16)30-7-9-31-10-8-30/h1-6,12-14H,7-11H2,(H2,25,27,28,29)
InChIKeyKYMQTVHICOVNGN-UHFFFAOYSA-N
MW477.37 g/mol
LogP3.86
Rot. Bonds4

About 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10005239) has the molecular formula C23H21BrN6O and a molecular weight of 477.37 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10005239
Molecular FormulaC23H21BrN6O
Molecular Weight477.37 g/mol
Exact Mass476.10
IUPAC Name5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(Cc3ccccc3Br)c12
InChIInChI=1S/C23H21BrN6O/c24-18-4-2-1-3-15(18)11-17-12-19(29-23-21(17)22(25)27-14-28-23)16-5-6-20(26-13-16)30-7-9-31-10-8-30/h1-6,12-14H,7-11H2,(H2,25,27,28,29)
InChIKeyKYMQTVHICOVNGN-UHFFFAOYSA-N
XLogP3.86
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 101088508
7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 11014315
5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67258367
7-(6-morpholin-4-yl-3-pyridinyl)-5-(4-propylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 11102108
6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 70295183
5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 57317757
3-(1,3-dihydroisoindol-2-yl)-5-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine
CID 90435597
5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 139898617
5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67257582
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
5-(3-bromophenyl)-7-(5-morpholin-4-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 57257439
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 10005239) is 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(Cc3ccccc3Br)c12.
What is the InChIKey of 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is KYMQTVHICOVNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN6O/c24-18-4-2-1-3-15(18)11-17-12-19(29-23-21(17)22(25)27-14-28-23)16-5-6-20(26-13-16)30-7-9-31-10-8-30/h1-6,12-14H,7-11H2,(H2,25,27,28,29).
What are the key properties of 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 477.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10005239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).