5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine

C19H17F4N5 — CID 134449812

IUPAC5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)F)cc(C(F)F)c3nn2C(C)C)cc2cn[nH]c12
InChIInChI=1S/C19H17F4N5/c1-8(2)28-17(10-4-9(3)14-11(5-10)7-24-26-14)16-15(27-28)12(18(20)21)6-13(25-16)19(22)23/h4-8,18-19H,1-3H3,(H,24,26)
InChIKeyWUCJKSIDEQFSLD-UHFFFAOYSA-N
MW391.37 g/mol
LogP5.74
Rot. Bonds4

About 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine

5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine (PubChem CID 134449812) has the molecular formula C19H17F4N5 and a molecular weight of 391.37 g/mol. Its IUPAC name is 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine
PubChem CID134449812
Molecular FormulaC19H17F4N5
Molecular Weight391.37 g/mol
Exact Mass391.14
IUPAC Name5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)F)cc(C(F)F)c3nn2C(C)C)cc2cn[nH]c12
InChIInChI=1S/C19H17F4N5/c1-8(2)28-17(10-4-9(3)14-11(5-10)7-24-26-14)16-15(27-28)12(18(20)21)6-13(25-16)19(22)23/h4-8,18-19H,1-3H3,(H,24,26)
InChIKeyWUCJKSIDEQFSLD-UHFFFAOYSA-N
XLogP5.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.37
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine?
The IUPAC name of 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine (CID 134449812) is 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine is Cc1cc(-c2c3nc(C(F)F)cc(C(F)F)c3nn2C(C)C)cc2cn[nH]c12.
What is the InChIKey of 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine?
The InChIKey is WUCJKSIDEQFSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5/c1-8(2)28-17(10-4-9(3)14-11(5-10)7-24-26-14)16-15(27-28)12(18(20)21)6-13(25-16)19(22)23/h4-8,18-19H,1-3H3,(H,24,26).
What are the key properties of 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine?
5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine has a molecular weight of 391.37 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(difluoromethyl)-3-(7-methyl-1H-indazol-5-yl)-2-propan-2-ylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134449812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).