7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C21H20ClFN8O — CID 126680454

IUPAC7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2c(F)ccc(-c3ccc(N4CCNCC4)nc3)c2Cl)c2n[nH]nc2n1
InChIInChI=1S/C21H20ClFN8O/c22-19-13(12-1-4-18(26-10-12)31-7-5-25-6-8-31)2-3-15(23)14(19)11-32-16-9-17(24)27-21-20(16)28-30-29-21/h1-4,9-10,25H,5-8,11H2,(H3,24,27,28,29,30)
InChIKeyOJYVIRMRIJPFHR-UHFFFAOYSA-N
MW454.90 g/mol
LogP2.78
Rot. Bonds5

About 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126680454) has the molecular formula C21H20ClFN8O and a molecular weight of 454.90 g/mol. Its IUPAC name is 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126680454
Molecular FormulaC21H20ClFN8O
Molecular Weight454.90 g/mol
Exact Mass454.14
IUPAC Name7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2c(F)ccc(-c3ccc(N4CCNCC4)nc3)c2Cl)c2n[nH]nc2n1
InChIInChI=1S/C21H20ClFN8O/c22-19-13(12-1-4-18(26-10-12)31-7-5-25-6-8-31)2-3-15(23)14(19)11-32-16-9-17(24)27-21-20(16)28-30-29-21/h1-4,9-10,25H,5-8,11H2,(H3,24,27,28,29,30)
InChIKeyOJYVIRMRIJPFHR-UHFFFAOYSA-N
XLogP2.78
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.90
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

5-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzonitrile
CID 126680434
[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-4-fluorophenyl]-pyrrolidin-1-ylmethanone
CID 126678868
7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine
CID 87386039
4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
CID 141335696
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
[5-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 126680018
7-chloro-3-piperazin-1-ylisoquinoline
CID 13025580
7-[[2-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949734
[4-[6-amino-5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]phenyl]-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 58886024
4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine
CID 69045854

Frequently Asked Questions

What is the IUPAC name of 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126680454) is 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2c(F)ccc(-c3ccc(N4CCNCC4)nc3)c2Cl)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is OJYVIRMRIJPFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN8O/c22-19-13(12-1-4-18(26-10-12)31-7-5-25-6-8-31)2-3-15(23)14(19)11-32-16-9-17(24)27-21-20(16)28-30-29-21/h1-4,9-10,25H,5-8,11H2,(H3,24,27,28,29,30).
What are the key properties of 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 454.90 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-chloro-6-fluoro-3-(6-piperazin-1-yl-3-pyridinyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126680454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).