(6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide

C24H26F2N4O2 — CID 169102218

IUPAC(6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2c1C[C@H](C(=O)NCc1cccnc1)CC2
InChIInChI=1S/C24H26F2N4O2/c1-15(2)30-21-12-18(23(31)28-14-16-5-4-10-27-13-16)8-9-20(21)22(29-30)17-6-3-7-19(11-17)32-24(25)26/h3-7,10-11,13,15,18,24H,8-9,12,14H2,1-2H3,(H,28,31)/t18-/m1/s1
InChIKeyRRBMUHBOCZWWRU-GOSISDBHSA-N
MW440.49 g/mol
LogP4.55
Rot. Bonds7

About (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 169102218) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID169102218
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name(6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCC(C)n1nc(-c2cccc(OC(F)F)c2)c2c1C[C@H](C(=O)NCc1cccnc1)CC2
InChIInChI=1S/C24H26F2N4O2/c1-15(2)30-21-12-18(23(31)28-14-16-5-4-10-27-13-16)8-9-20(21)22(29-30)17-6-3-7-19(11-17)32-24(25)26/h3-7,10-11,13,15,18,24H,8-9,12,14H2,1-2H3,(H,28,31)/t18-/m1/s1
InChIKeyRRBMUHBOCZWWRU-GOSISDBHSA-N
XLogP4.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 169102218) is (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide is CC(C)n1nc(-c2cccc(OC(F)F)c2)c2c1C[C@H](C(=O)NCc1cccnc1)CC2.
What is the InChIKey of (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is RRBMUHBOCZWWRU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-15(2)30-21-12-18(23(31)28-14-16-5-4-10-27-13-16)8-9-20(21)22(29-30)17-6-3-7-19(11-17)32-24(25)26/h3-7,10-11,13,15,18,24H,8-9,12,14H2,1-2H3,(H,28,31)/t18-/m1/s1.
What are the key properties of (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[3-(difluoromethoxy)phenyl]-1-propan-2-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 169102218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).