N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide

C22H24F2N4O4 — CID 155444066

IUPACN-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCOCC3)cc2cc1C(=O)Nc1cccnc1OC(F)F
InChIInChI=1S/C22H24F2N4O4/c1-13(2)31-19-11-18-14(12-28(27-18)15-5-8-30-9-6-15)10-16(19)20(29)26-17-4-3-7-25-21(17)32-22(23)24/h3-4,7,10-13,15,22H,5-6,8-9H2,1-2H3,(H,26,29)
InChIKeyGHWQDEUAVPCDIT-UHFFFAOYSA-N
MW446.45 g/mol
LogP4.42
Rot. Bonds7

About N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide

N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide (PubChem CID 155444066) has the molecular formula C22H24F2N4O4 and a molecular weight of 446.45 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
PubChem CID155444066
Molecular FormulaC22H24F2N4O4
Molecular Weight446.45 g/mol
Exact Mass446.18
IUPAC NameN-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCOCC3)cc2cc1C(=O)Nc1cccnc1OC(F)F
InChIInChI=1S/C22H24F2N4O4/c1-13(2)31-19-11-18-14(12-28(27-18)15-5-8-30-9-6-15)10-16(19)20(29)26-17-4-3-7-25-21(17)32-22(23)24/h3-4,7,10-13,15,22H,5-6,8-9H2,1-2H3,(H,26,29)
InChIKeyGHWQDEUAVPCDIT-UHFFFAOYSA-N
XLogP4.42
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide (CID 155444066) is N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide is CC(C)Oc1cc2nn(C3CCOCC3)cc2cc1C(=O)Nc1cccnc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
The InChIKey is GHWQDEUAVPCDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4/c1-13(2)31-19-11-18-14(12-28(27-18)15-5-8-30-9-6-15)10-16(19)20(29)26-17-4-3-7-25-21(17)32-22(23)24/h3-4,7,10-13,15,22H,5-6,8-9H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide?
N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide is sourced from PubChem (CID 155444066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).