N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine

C19H14BrFN4 — CID 178129734

IUPACN-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine
SMILESCn1ncc2cc(-c3ccnc(Nc4cc(F)cc(Br)c4)c3)ccc21
InChIInChI=1S/C19H14BrFN4/c1-25-18-3-2-12(6-14(18)11-23-25)13-4-5-22-19(7-13)24-17-9-15(20)8-16(21)10-17/h2-11H,1H3,(H,22,24)
InChIKeyUEDPVDKKUXDWNU-UHFFFAOYSA-N
MW397.25 g/mol
LogP5.28
Rot. Bonds3

About N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine

N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine (PubChem CID 178129734) has the molecular formula C19H14BrFN4 and a molecular weight of 397.25 g/mol. Its IUPAC name is N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine
PubChem CID178129734
Molecular FormulaC19H14BrFN4
Molecular Weight397.25 g/mol
Exact Mass396.04
IUPAC NameN-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine
SMILESCn1ncc2cc(-c3ccnc(Nc4cc(F)cc(Br)c4)c3)ccc21
InChIInChI=1S/C19H14BrFN4/c1-25-18-3-2-12(6-14(18)11-23-25)13-4-5-22-19(7-13)24-17-9-15(20)8-16(21)10-17/h2-11H,1H3,(H,22,24)
InChIKeyUEDPVDKKUXDWNU-UHFFFAOYSA-N
XLogP5.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.25
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328242
N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328243
N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
N-(3-bromophenyl)-8-methyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328285
Pyrazolo[1,5-b]pyridazine deriv. 34
CID 6539376
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
N-(3-bromophenyl)-9-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 5328393
N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328282
2-{5-[(3-bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazolin-1-yl}acetic acid
CID 5328284
N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328287
N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328288
N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328293

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine?
The IUPAC name of N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine (CID 178129734) is N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine is Cn1ncc2cc(-c3ccnc(Nc4cc(F)cc(Br)c4)c3)ccc21.
What is the InChIKey of N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine?
The InChIKey is UEDPVDKKUXDWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN4/c1-25-18-3-2-12(6-14(18)11-23-25)13-4-5-22-19(7-13)24-17-9-15(20)8-16(21)10-17/h2-11H,1H3,(H,22,24).
What are the key properties of N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine?
N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine has a molecular weight of 397.25 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluorophenyl)-4-(1-methylindazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 178129734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).