N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

C46H34BrF4N11 — CID 67507642

IUPACN-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(-c4ccnc(N)n4)c3)c2C)c1.Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(Br)c3)c2C)c1
InChIInChI=1S/C25H19F2N7.C21H15BrF2N4/c1-13-3-5-30-21(7-13)23-14(2)24(22-18(27)9-16(26)10-20(22)33-23)32-17-8-15(11-29-12-17)19-4-6-31-25(28)34-19;1-11-3-4-26-18(5-11)20-12(2)21(27-15-6-13(22)9-25-10-15)19-16(24)7-14(23)8-17(19)28-20/h3-12H,1-2H3,(H,32,33)(H2,28,31,34);3-10H,1-2H3,(H,27,28)
InChIKeyCLNIERZEKLJHMI-UHFFFAOYSA-N
MW896.75 g/mol
LogP11.46
Rot. Bonds7

About N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 67507642) has the molecular formula C46H34BrF4N11 and a molecular weight of 896.75 g/mol. Its IUPAC name is N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID67507642
Molecular FormulaC46H34BrF4N11
Molecular Weight896.75 g/mol
Exact Mass895.21
IUPAC NameN-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(-c4ccnc(N)n4)c3)c2C)c1.Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(Br)c3)c2C)c1
InChIInChI=1S/C25H19F2N7.C21H15BrF2N4/c1-13-3-5-30-21(7-13)23-14(2)24(22-18(27)9-16(26)10-20(22)33-23)32-17-8-15(11-29-12-17)19-4-6-31-25(28)34-19;1-11-3-4-26-18(5-11)20-12(2)21(27-15-6-13(22)9-25-10-15)19-16(24)7-14(23)8-17(19)28-20/h3-12H,1-2H3,(H,32,33)(H2,28,31,34);3-10H,1-2H3,(H,27,28)
InChIKeyCLNIERZEKLJHMI-UHFFFAOYSA-N
XLogP11.46
TPSA153.20 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500896.75
LogP ≤ 511.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 67507642) is N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(-c4ccnc(N)n4)c3)c2C)c1.Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(Br)c3)c2C)c1.
What is the InChIKey of N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is CLNIERZEKLJHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N7.C21H15BrF2N4/c1-13-3-5-30-21(7-13)23-14(2)24(22-18(27)9-16(26)10-20(22)33-23)32-17-8-15(11-29-12-17)19-4-6-31-25(28)34-19;1-11-3-4-26-18(5-11)20-12(2)21(27-15-6-13(22)9-25-10-15)19-16(24)7-14(23)8-17(19)28-20/h3-12H,1-2H3,(H,32,33)(H2,28,31,34);3-10H,1-2H3,(H,27,28).
What are the key properties of N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 896.75 g/mol, XLogP of 11.46, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopyrimidin-4-yl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine;N-(5-bromo-3-pyridinyl)-5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 67507642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).