2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

C26H23FN8O — CID 136937061

IUPAC2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)nc23)c1
InChIInChI=1S/C26H23FN8O/c1-35(2)7-8-36-19-10-16(9-18(27)12-19)23-25-22(5-6-28-23)31-26(32-25)24-20-11-15(17-13-29-30-14-17)3-4-21(20)33-34-24/h3-6,9-14H,7-8H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)
InChIKeyZTENFBRNFHYKAM-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.64
Rot. Bonds7

About 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 136937061) has the molecular formula C26H23FN8O and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
PubChem CID136937061
Molecular FormulaC26H23FN8O
Molecular Weight482.52 g/mol
Exact Mass482.20
IUPAC Name2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)nc23)c1
InChIInChI=1S/C26H23FN8O/c1-35(2)7-8-36-19-10-16(9-18(27)12-19)23-25-22(5-6-28-23)31-26(32-25)24-20-11-15(17-13-29-30-14-17)3-4-21(20)33-34-24/h3-6,9-14H,7-8H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)
InChIKeyZTENFBRNFHYKAM-UHFFFAOYSA-N
XLogP4.64
TPSA111.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine (CID 136937061) is 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)nc23)c1.
What is the InChIKey of 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is ZTENFBRNFHYKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-35(2)7-8-36-19-10-16(9-18(27)12-19)23-25-22(5-6-28-23)31-26(32-25)24-20-11-15(17-13-29-30-14-17)3-4-21(20)33-34-24/h3-6,9-14H,7-8H2,1-2H3,(H,29,30)(H,31,32)(H,33,34).
What are the key properties of 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine?
2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 482.52 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 136937061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).