N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide

C24H26F2N4O3 — CID 155444070

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(CC34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccc(C(F)F)n1
InChIInChI=1S/C24H26F2N4O3/c1-14(2)33-19-8-18-15(9-30(29-18)12-24-10-23(3,11-24)32-13-24)7-16(19)22(31)28-20-6-4-5-17(27-20)21(25)26/h4-9,14,21H,10-13H2,1-3H3,(H,27,28,31)
InChIKeyAQXKVXMCAMKXDY-UHFFFAOYSA-N
MW456.49 g/mol
LogP4.98
Rot. Bonds7

About N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 155444070) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID155444070
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(CC34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccc(C(F)F)n1
InChIInChI=1S/C24H26F2N4O3/c1-14(2)33-19-8-18-15(9-30(29-18)12-24-10-23(3,11-24)32-13-24)7-16(19)22(31)28-20-6-4-5-17(27-20)21(25)26/h4-9,14,21H,10-13H2,1-3H3,(H,27,28,31)
InChIKeyAQXKVXMCAMKXDY-UHFFFAOYSA-N
XLogP4.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide (CID 155444070) is N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(CC34COC(C)(C3)C4)cc2cc1C(=O)Nc1cccc(C(F)F)n1.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is AQXKVXMCAMKXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-14(2)33-19-8-18-15(9-30(29-18)12-24-10-23(3,11-24)32-13-24)7-16(19)22(31)28-20-6-4-5-17(27-20)21(25)26/h4-9,14,21H,10-13H2,1-3H3,(H,27,28,31).
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide?
N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 155444070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).