N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide

C26H30F2N4O5 — CID 166520793

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide
SMILESCOc1cc(-c2c3ccc(OCCN4CCOCC4)cc3nn2C)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C26H30F2N4O5/c1-31-24(19-6-5-18(15-20(19)30-31)36-12-9-32-7-10-35-11-8-32)16-13-21(34-2)23(22(14-16)37-26(27)28)25(33)29-17-3-4-17/h5-6,13-15,17,26H,3-4,7-12H2,1-2H3,(H,29,33)
InChIKeyPXQKLMPQAWLTMB-UHFFFAOYSA-N
MW516.55 g/mol
LogP3.45
Rot. Bonds10

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide (PubChem CID 166520793) has the molecular formula C26H30F2N4O5 and a molecular weight of 516.55 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide
PubChem CID166520793
Molecular FormulaC26H30F2N4O5
Molecular Weight516.55 g/mol
Exact Mass516.22
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide
SMILESCOc1cc(-c2c3ccc(OCCN4CCOCC4)cc3nn2C)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C26H30F2N4O5/c1-31-24(19-6-5-18(15-20(19)30-31)36-12-9-32-7-10-35-11-8-32)16-13-21(34-2)23(22(14-16)37-26(27)28)25(33)29-17-3-4-17/h5-6,13-15,17,26H,3-4,7-12H2,1-2H3,(H,29,33)
InChIKeyPXQKLMPQAWLTMB-UHFFFAOYSA-N
XLogP3.45
TPSA87.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide (CID 166520793) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide is COc1cc(-c2c3ccc(OCCN4CCOCC4)cc3nn2C)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide?
The InChIKey is PXQKLMPQAWLTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O5/c1-31-24(19-6-5-18(15-20(19)30-31)36-12-9-32-7-10-35-11-8-32)16-13-21(34-2)23(22(14-16)37-26(27)28)25(33)29-17-3-4-17/h5-6,13-15,17,26H,3-4,7-12H2,1-2H3,(H,29,33).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide has a molecular weight of 516.55 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[2-methyl-6-(2-morpholin-4-ylethoxy)indazol-3-yl]benzamide is sourced from PubChem (CID 166520793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).