5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine

C24H20BrN5 — CID 71225853

IUPAC5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(c1ccccc1Br)c1cc(-c2cn(C)c3ccccc23)nc2ncnc(N)c12
InChIInChI=1S/C24H20BrN5/c1-14(15-7-3-5-9-19(15)25)17-11-20(29-24-22(17)23(26)27-13-28-24)18-12-30(2)21-10-6-4-8-16(18)21/h3-14H,1-2H3,(H2,26,27,28,29)
InChIKeySLFYDCIUTYPCRL-UHFFFAOYSA-N
MW458.36 g/mol
LogP5.68
Rot. Bonds3

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

5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 71225853) has the molecular formula C24H20BrN5 and a molecular weight of 458.36 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID71225853
Molecular FormulaC24H20BrN5
Molecular Weight458.36 g/mol
Exact Mass457.09
IUPAC Name5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(c1ccccc1Br)c1cc(-c2cn(C)c3ccccc23)nc2ncnc(N)c12
InChIInChI=1S/C24H20BrN5/c1-14(15-7-3-5-9-19(15)25)17-11-20(29-24-22(17)23(26)27-13-28-24)18-12-30(2)21-10-6-4-8-16(18)21/h3-14H,1-2H3,(H2,26,27,28,29)
InChIKeySLFYDCIUTYPCRL-UHFFFAOYSA-N
XLogP5.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.36
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 71225853) is 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine is CC(c1ccccc1Br)c1cc(-c2cn(C)c3ccccc23)nc2ncnc(N)c12.
What is the InChIKey of 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SLFYDCIUTYPCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN5/c1-14(15-7-3-5-9-19(15)25)17-11-20(29-24-22(17)23(26)27-13-28-24)18-12-30(2)21-10-6-4-8-16(18)21/h3-14H,1-2H3,(H2,26,27,28,29).
What are the key properties of 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine?
5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 458.36 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-bromophenyl)ethyl]-7-(1-methylindol-3-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71225853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).