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

C29H26BrClN6O — CID 70295183

IUPAC6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12
InChIInChI=1S/C29H25BrN6O.ClH/c30-22-8-4-7-20(16-22)25-23(15-19-5-2-1-3-6-19)27(35-29-26(25)28(31)33-18-34-29)21-9-10-24(32-17-21)36-11-13-37-14-12-36;/h1-10,16-18H,11-15H2,(H2,31,33,34,35);1H
InChIKeyJTFHNLGBUNSBOZ-UHFFFAOYSA-N
MW589.93 g/mol
LogP5.95
Rot. Bonds5

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

6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 70295183) has the molecular formula C29H26BrClN6O and a molecular weight of 589.93 g/mol. Its IUPAC name is 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID70295183
Molecular FormulaC29H26BrClN6O
Molecular Weight589.93 g/mol
Exact Mass588.10
IUPAC Name6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12
InChIInChI=1S/C29H25BrN6O.ClH/c30-22-8-4-7-20(16-22)25-23(15-19-5-2-1-3-6-19)27(35-29-26(25)28(31)33-18-34-29)21-9-10-24(32-17-21)36-11-13-37-14-12-36;/h1-10,16-18H,11-15H2,(H2,31,33,34,35);1H
InChIKeyJTFHNLGBUNSBOZ-UHFFFAOYSA-N
XLogP5.95
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.93
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 57317757
7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 11014315
5-[(1S)-1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 101088508
6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 70295347
5-(3-bromophenyl)-7-(5-morpholin-4-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 57257439
5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67257582
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-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 54384444
(3S,4S)-1-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-4-hydroxypyrrolidine-3-carbonitrile
CID 70300829
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride (CID 70295183) is 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12.
What is the InChIKey of 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is JTFHNLGBUNSBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BrN6O.ClH/c30-22-8-4-7-20(16-22)25-23(15-19-5-2-1-3-6-19)27(35-29-26(25)28(31)33-18-34-29)21-9-10-24(32-17-21)36-11-13-37-14-12-36;/h1-10,16-18H,11-15H2,(H2,31,33,34,35);1H.
What are the key properties of 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride?
6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 589.93 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 70295183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).