2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide

C24H23F4N5O3 — CID 172605929

IUPAC2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide
SMILESCCCn1cc(-c2cc(C(F)F)c3c(-c4cc(OC)c(C(N)=O)c(OC(F)F)c4)n(C)nc3c2)cn1
InChIInChI=1S/C24H23F4N5O3/c1-4-5-33-11-14(10-30-33)12-6-15(22(25)26)19-16(7-12)31-32(2)21(19)13-8-17(35-3)20(23(29)34)18(9-13)36-24(27)28/h6-11,22,24H,4-5H2,1-3H3,(H2,29,34)
InChIKeyRLFJGMBLJMGTIJ-UHFFFAOYSA-N
MW505.47 g/mol
LogP5.16
Rot. Bonds9

About 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide

2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide (PubChem CID 172605929) has the molecular formula C24H23F4N5O3 and a molecular weight of 505.47 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide
PubChem CID172605929
Molecular FormulaC24H23F4N5O3
Molecular Weight505.47 g/mol
Exact Mass505.17
IUPAC Name2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide
SMILESCCCn1cc(-c2cc(C(F)F)c3c(-c4cc(OC)c(C(N)=O)c(OC(F)F)c4)n(C)nc3c2)cn1
InChIInChI=1S/C24H23F4N5O3/c1-4-5-33-11-14(10-30-33)12-6-15(22(25)26)19-16(7-12)31-32(2)21(19)13-8-17(35-3)20(23(29)34)18(9-13)36-24(27)28/h6-11,22,24H,4-5H2,1-3H3,(H2,29,34)
InChIKeyRLFJGMBLJMGTIJ-UHFFFAOYSA-N
XLogP5.16
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide (CID 172605929) is 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide is CCCn1cc(-c2cc(C(F)F)c3c(-c4cc(OC)c(C(N)=O)c(OC(F)F)c4)n(C)nc3c2)cn1.
What is the InChIKey of 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide?
The InChIKey is RLFJGMBLJMGTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O3/c1-4-5-33-11-14(10-30-33)12-6-15(22(25)26)19-16(7-12)31-32(2)21(19)13-8-17(35-3)20(23(29)34)18(9-13)36-24(27)28/h6-11,22,24H,4-5H2,1-3H3,(H2,29,34).
What are the key properties of 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide?
2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide has a molecular weight of 505.47 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1-propylpyrazol-4-yl)indazol-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 172605929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).