2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C29H27F4N7O — CID 137353263

IUPAC2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C29H27F4N7O/c1-4-16-7-6-8-17(5-2)25(16)40-26(19-11-22(30)27(41-3)24-20(19)14-36-37-24)21-15-39(10-9-23(21)38-40)28-34-12-18(13-35-28)29(31,32)33/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,36,37)
InChIKeyHJRYHTXJYYHHDW-UHFFFAOYSA-N
MW565.58 g/mol
LogP6.06
Rot. Bonds6

About 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353263) has the molecular formula C29H27F4N7O and a molecular weight of 565.58 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID137353263
Molecular FormulaC29H27F4N7O
Molecular Weight565.58 g/mol
Exact Mass565.22
IUPAC Name2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C29H27F4N7O/c1-4-16-7-6-8-17(5-2)25(16)40-26(19-11-22(30)27(41-3)24-20(19)14-36-37-24)21-15-39(10-9-23(21)38-40)28-34-12-18(13-35-28)29(31,32)33/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,36,37)
InChIKeyHJRYHTXJYYHHDW-UHFFFAOYSA-N
XLogP6.06
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.58
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353263) is 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2.
What is the InChIKey of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is HJRYHTXJYYHHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F4N7O/c1-4-16-7-6-8-17(5-2)25(16)40-26(19-11-22(30)27(41-3)24-20(19)14-36-37-24)21-15-39(10-9-23(21)38-40)28-34-12-18(13-35-28)29(31,32)33/h6-8,11-14H,4-5,9-10,15H2,1-3H3,(H,36,37).
What are the key properties of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 565.58 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).