2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile

C27H21BrFN5O — CID 11386997

IUPAC2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc(-c2ccc(N3CCOCC3)nc2)c(-c2ccc(F)cc2)c1-c1cccc(Br)c1
InChIInChI=1S/C27H21BrFN5O/c28-20-3-1-2-18(14-20)24-22(15-30)27(31)33-26(25(24)17-4-7-21(29)8-5-17)19-6-9-23(32-16-19)34-10-12-35-13-11-34/h1-9,14,16H,10-13H2,(H2,31,33)
InChIKeyPNXXCMOYXSMSKA-UHFFFAOYSA-N
MW530.40 g/mol
LogP5.67
Rot. Bonds4

About 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile

2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile (PubChem CID 11386997) has the molecular formula C27H21BrFN5O and a molecular weight of 530.40 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile
PubChem CID11386997
Molecular FormulaC27H21BrFN5O
Molecular Weight530.40 g/mol
Exact Mass529.09
IUPAC Name2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc(-c2ccc(N3CCOCC3)nc2)c(-c2ccc(F)cc2)c1-c1cccc(Br)c1
InChIInChI=1S/C27H21BrFN5O/c28-20-3-1-2-18(14-20)24-22(15-30)27(31)33-26(25(24)17-4-7-21(29)8-5-17)19-6-9-23(32-16-19)34-10-12-35-13-11-34/h1-9,14,16H,10-13H2,(H2,31,33)
InChIKeyPNXXCMOYXSMSKA-UHFFFAOYSA-N
XLogP5.67
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.40
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Abt-702
CID 1973
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239
5-(3-Bromo-phenyl)-6-(4-fluoro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11249902
5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11261214
6-Benzyl-5-(3-bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11284297
5-(2-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381567
5-(4-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381790
6-Amino-4-(3-bromo-phenyl)-[2,3']bipyridinyl-5-carbonitrile
CID 1989171
5-(3-Bromo-benzyl)-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10874046
5-[3-(3-Bromo-phenyl)-propyl]-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10972842
5-N-[(3-bromophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
CID 11027234
5-(3-Bromo-phenyl)-6-isopropyl-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11466251

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile (CID 11386997) is 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile is N#Cc1c(N)nc(-c2ccc(N3CCOCC3)nc2)c(-c2ccc(F)cc2)c1-c1cccc(Br)c1.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is PNXXCMOYXSMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrFN5O/c28-20-3-1-2-18(14-20)24-22(15-30)27(31)33-26(25(24)17-4-7-21(29)8-5-17)19-6-9-23(32-16-19)34-10-12-35-13-11-34/h1-9,14,16H,10-13H2,(H2,31,33).
What are the key properties of 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile?
2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 530.40 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 11386997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).