3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

C25H22FN3O2 — CID 167358371

IUPAC3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C25H22FN3O2/c1-29(15-19-6-2-5-18-14-27-28-24(18)19)25(30)17-8-11-22(16-4-3-7-20(26)12-16)23(13-17)31-21-9-10-21/h2-8,11-14,21H,9-10,15H2,1H3,(H,27,28)
InChIKeyNBBLJKHMGSLKRV-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.18
Rot. Bonds6

About 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (PubChem CID 167358371) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
PubChem CID167358371
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C25H22FN3O2/c1-29(15-19-6-2-5-18-14-27-28-24(18)19)25(30)17-8-11-22(16-4-3-7-20(26)12-16)23(13-17)31-21-9-10-21/h2-8,11-14,21H,9-10,15H2,1H3,(H,27,28)
InChIKeyNBBLJKHMGSLKRV-UHFFFAOYSA-N
XLogP5.18
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The IUPAC name of 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (CID 167358371) is 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1.
What is the InChIKey of 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The InChIKey is NBBLJKHMGSLKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-29(15-19-6-2-5-18-14-27-28-24(18)19)25(30)17-8-11-22(16-4-3-7-20(26)12-16)23(13-17)31-21-9-10-21/h2-8,11-14,21H,9-10,15H2,1H3,(H,27,28).
What are the key properties of 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide has a molecular weight of 415.47 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 167358371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).