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

C23H21BrN6 — CID 54297427

IUPAC5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCCCC4)cn3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C23H21BrN6/c24-16-6-4-5-15(11-16)18-12-20(29-23-21(18)22(25)27-14-28-23)19-8-7-17(13-26-19)30-9-2-1-3-10-30/h4-8,11-14H,1-3,9-10H2,(H2,25,27,28,29)
InChIKeySBTRALZEJUJIOS-UHFFFAOYSA-N
MW461.37 g/mol
LogP5.09
Rot. Bonds3

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

5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54297427) has the molecular formula C23H21BrN6 and a molecular weight of 461.37 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54297427
Molecular FormulaC23H21BrN6
Molecular Weight461.37 g/mol
Exact Mass460.10
IUPAC Name5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCCCC4)cn3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C23H21BrN6/c24-16-6-4-5-15(11-16)18-12-20(29-23-21(18)22(25)27-14-28-23)19-8-7-17(13-26-19)30-9-2-1-3-10-30/h4-8,11-14H,1-3,9-10H2,(H2,25,27,28,29)
InChIKeySBTRALZEJUJIOS-UHFFFAOYSA-N
XLogP5.09
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Pd 158780
CID 4707
Abt-702
CID 1973
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-(3-bromophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 5328257
N-(3-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 5328266
Pyrido[4,3-d]pyrimidine deriv. 3y
CID 5328319
4-N-[(3-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328082
4-[(3-Bromophenyl)amino]-6-[[2-(dimethylamino)-ethyl]amino]pyrido[3,4-d]pyrimidine
CID 5328354
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 54297427) is 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCCCC4)cn3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SBTRALZEJUJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN6/c24-16-6-4-5-15(11-16)18-12-20(29-23-21(18)22(25)27-14-28-23)19-8-7-17(13-26-19)30-9-2-1-3-10-30/h4-8,11-14H,1-3,9-10H2,(H2,25,27,28,29).
What are the key properties of 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 461.37 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(5-piperidin-1-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54297427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).