5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

C26H21F2N5O2 — CID 42634395

IUPAC5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESCOc1cc(-c2nnc3n(C4CCOc5cc(F)ccc54)cc(F)cc2-3)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H21F2N5O2/c1-15-12-32(14-29-15)22-6-3-16(9-24(22)34-2)25-20-10-18(28)13-33(26(20)31-30-25)21-7-8-35-23-11-17(27)4-5-19(21)23/h3-6,9-14,21H,7-8H2,1-2H3
InChIKeyLOZLRTNJMJYCDU-UHFFFAOYSA-N
MW473.48 g/mol
LogP5.20
Rot. Bonds4

About 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (PubChem CID 42634395) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
PubChem CID42634395
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESCOc1cc(-c2nnc3n(C4CCOc5cc(F)ccc54)cc(F)cc2-3)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H21F2N5O2/c1-15-12-32(14-29-15)22-6-3-16(9-24(22)34-2)25-20-10-18(28)13-33(26(20)31-30-25)21-7-8-35-23-11-17(27)4-5-19(21)23/h3-6,9-14,21H,7-8H2,1-2H3
InChIKeyLOZLRTNJMJYCDU-UHFFFAOYSA-N
XLogP5.20
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-7-[(1R)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 58110853
5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(2,4,6-trifluorophenyl)ethyl]pyrazolo[3,4-b]pyridine
CID 42634927
(8R)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66855889
5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1R)-1-(3,4,5-trifluorophenyl)ethyl]pyrazolo[3,4-b]pyridine
CID 42635106
5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(3,4,5-trifluorophenyl)ethyl]pyrazolo[3,4-b]pyridine
CID 42634396
(8R)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;hydrochloride
CID 67605970
(3E)-1-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
CID 58223191
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1R)-1-(3,4,5-trifluorophenyl)ethyl]pyrazolo[3,4-b]pyridine
CID 42635283
azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole
CID 158028310
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 70687594
(3S,7Z)-3-(4-fluorophenyl)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-4,5-dihydro-3aH-pyrano[3,4-c][1,2]oxazole
CID 25143879
8-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633863

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (CID 42634395) is 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is COc1cc(-c2nnc3n(C4CCOc5cc(F)ccc54)cc(F)cc2-3)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The InChIKey is LOZLRTNJMJYCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c1-15-12-32(14-29-15)22-6-3-16(9-24(22)34-2)25-20-10-18(28)13-33(26(20)31-30-25)21-7-8-35-23-11-17(27)4-5-19(21)23/h3-6,9-14,21H,7-8H2,1-2H3.
What are the key properties of 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine has a molecular weight of 473.48 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 42634395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).