5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C24H23BrN6O — CID 101088508

IUPAC5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESC[C@H](c1ccccc1Br)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12
InChIInChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30)/t15-/m1/s1
InChIKeyHHWKPCVJLZMIDJ-OAHLLOKOSA-N
MW491.39 g/mol
LogP4.42
Rot. Bonds4

About 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 101088508) has the molecular formula C24H23BrN6O and a molecular weight of 491.39 g/mol. Its IUPAC name is 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID101088508
Molecular FormulaC24H23BrN6O
Molecular Weight491.39 g/mol
Exact Mass490.11
IUPAC Name5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESC[C@H](c1ccccc1Br)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12
InChIInChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30)/t15-/m1/s1
InChIKeyHHWKPCVJLZMIDJ-OAHLLOKOSA-N
XLogP4.42
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10005239
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
5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 57317757
6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 70295183
5-[2-morpholin-4-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
CID 59507463
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
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 101088508) is 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is C[C@H](c1ccccc1Br)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12.
What is the InChIKey of 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HHWKPCVJLZMIDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30)/t15-/m1/s1.
What are the key properties of 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 491.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 101088508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).