N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C53H46BrF4N13O2 — CID 87426114

IUPACN-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCOCC1.Cc1cc(-c2cnc(N3CCOCC3)c(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)nc(N)n1
InChIInChI=1S/C29H26F2N8O.C24H20BrF2N5O/c1-16-11-22(38-29(32)35-16)18-12-24(28(34-15-18)39-7-9-40-10-8-39)37-27-17(2)26(21-5-3-4-6-33-21)36-23-14-19(30)13-20(31)25(23)27;1-14-22(18-4-2-3-5-28-18)30-19-12-16(26)11-17(27)21(19)23(14)31-20-10-15(25)13-29-24(20)32-6-8-33-9-7-32/h3-6,11-15H,7-10H2,1-2H3,(H,36,37)(H2,32,35,38);2-5,10-13H,6-9H2,1H3,(H,30,31)
InChIKeyIDSQYZIXCUAEKT-UHFFFAOYSA-N
MW1052.94 g/mol
LogP10.83
Rot. Bonds9

About N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 87426114) has the molecular formula C53H46BrF4N13O2 and a molecular weight of 1052.94 g/mol. Its IUPAC name is N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID87426114
Molecular FormulaC53H46BrF4N13O2
Molecular Weight1052.94 g/mol
Exact Mass1051.30
IUPAC NameN-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCOCC1.Cc1cc(-c2cnc(N3CCOCC3)c(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)nc(N)n1
InChIInChI=1S/C29H26F2N8O.C24H20BrF2N5O/c1-16-11-22(38-29(32)35-16)18-12-24(28(34-15-18)39-7-9-40-10-8-39)37-27-17(2)26(21-5-3-4-6-33-21)36-23-14-19(30)13-20(31)25(23)27;1-14-22(18-4-2-3-5-28-18)30-19-12-16(26)11-17(27)21(19)23(14)31-20-10-15(25)13-29-24(20)32-6-8-33-9-7-32/h3-6,11-15H,7-10H2,1-2H3,(H,36,37)(H2,32,35,38);2-5,10-13H,6-9H2,1H3,(H,30,31)
InChIKeyIDSQYZIXCUAEKT-UHFFFAOYSA-N
XLogP10.83
TPSA178.14 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001052.94
LogP ≤ 510.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Abt-702
CID 1973
4-[(3-Bromophenyl)amino]6-[(3-morpholinopropyl)amino]pyrido[3,4-d]pyrimidine
CID 5328361
4-N-(3-bromophenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328360
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239
5-[1-(2-Bromo-phenyl)-ethyl]-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10435708
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
Pyrido[4,3-d]pyrimidine deriv. 3q
CID 5328311
Pyrido[4,3-d]pyrimidine deriv. 3r
CID 5328312
Pyrido[4,3-d]pyrimidine deriv. 3s
CID 5328313
4-N-(3-bromophenyl)-2-methyl-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328381

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 87426114) is N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCOCC1.Cc1cc(-c2cnc(N3CCOCC3)c(Nc3c(C)c(-c4ccccn4)nc4cc(F)cc(F)c34)c2)nc(N)n1.
What is the InChIKey of N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is IDSQYZIXCUAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N8O.C24H20BrF2N5O/c1-16-11-22(38-29(32)35-16)18-12-24(28(34-15-18)39-7-9-40-10-8-39)37-27-17(2)26(21-5-3-4-6-33-21)36-23-14-19(30)13-20(31)25(23)27;1-14-22(18-4-2-3-5-28-18)30-19-12-16(26)11-17(27)21(19)23(14)31-20-10-15(25)13-29-24(20)32-6-8-33-9-7-32/h3-6,11-15H,7-10H2,1-2H3,(H,36,37)(H2,32,35,38);2-5,10-13H,6-9H2,1H3,(H,30,31).
What are the key properties of N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 1052.94 g/mol, XLogP of 10.83, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-6-methylpyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 87426114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).