N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide

C27H26FN3O2 — CID 165385050

IUPACN-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C3CC3)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C27H26FN3O2/c1-3-33-25-14-19(9-12-23(25)18-5-4-6-21(28)13-18)27(32)31(2)16-20-10-11-22(17-7-8-17)24-15-29-30-26(20)24/h4-6,9-15,17H,3,7-8,16H2,1-2H3,(H,29,30)
InChIKeyUFZWTIFCLKMSJY-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.92
Rot. Bonds7

About N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide

N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385050) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385050
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC NameN-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C3CC3)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C27H26FN3O2/c1-3-33-25-14-19(9-12-23(25)18-5-4-6-21(28)13-18)27(32)31(2)16-20-10-11-22(17-7-8-17)24-15-29-30-26(20)24/h4-6,9-15,17H,3,7-8,16H2,1-2H3,(H,29,30)
InChIKeyUFZWTIFCLKMSJY-UHFFFAOYSA-N
XLogP5.92
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385050) is N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2ccc(C3CC3)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is UFZWTIFCLKMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-3-33-25-14-19(9-12-23(25)18-5-4-6-21(28)13-18)27(32)31(2)16-20-10-11-22(17-7-8-17)24-15-29-30-26(20)24/h4-6,9-15,17H,3,7-8,16H2,1-2H3,(H,29,30).
What are the key properties of N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 443.52 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).