N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine

C23H18FN5OS — CID 123498687

IUPACN-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine
SMILESCc1ccc(Oc2ccnc3cc(-c4ccc(CNc5ccn[nH]5)cn4)sc23)c(F)c1
InChIInChI=1S/C23H18FN5OS/c1-14-2-5-19(16(24)10-14)30-20-6-8-25-18-11-21(31-23(18)20)17-4-3-15(12-26-17)13-27-22-7-9-28-29-22/h2-12H,13H2,1H3,(H2,27,28,29)
InChIKeyLYUFFDLKKGZKQJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.93
Rot. Bonds6

About N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine

N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine (PubChem CID 123498687) has the molecular formula C23H18FN5OS and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine
PubChem CID123498687
Molecular FormulaC23H18FN5OS
Molecular Weight431.50 g/mol
Exact Mass431.12
IUPAC NameN-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine
SMILESCc1ccc(Oc2ccnc3cc(-c4ccc(CNc5ccn[nH]5)cn4)sc23)c(F)c1
InChIInChI=1S/C23H18FN5OS/c1-14-2-5-19(16(24)10-14)30-20-6-8-25-18-11-21(31-23(18)20)17-4-3-15(12-26-17)13-27-22-7-9-28-29-22/h2-12H,13H2,1H3,(H2,27,28,29)
InChIKeyLYUFFDLKKGZKQJ-UHFFFAOYSA-N
XLogP5.93
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine (CID 123498687) is N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine is Cc1ccc(Oc2ccnc3cc(-c4ccc(CNc5ccn[nH]5)cn4)sc23)c(F)c1.
What is the InChIKey of N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine?
The InChIKey is LYUFFDLKKGZKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5OS/c1-14-2-5-19(16(24)10-14)30-20-6-8-25-18-11-21(31-23(18)20)17-4-3-15(12-26-17)13-27-22-7-9-28-29-22/h2-12H,13H2,1H3,(H2,27,28,29).
What are the key properties of N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine?
N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine has a molecular weight of 431.50 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 123498687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).