3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

C21H17FN4O2 — CID 23589680

IUPAC3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C21H17FN4O2/c1-28-20-16(21(27)24-12-13-4-3-9-23-11-13)7-8-17-18(20)19(26-25-17)14-5-2-6-15(22)10-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyMRZMFTLXUONRNR-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.70
Rot. Bonds5

About 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589680) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589680
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C21H17FN4O2/c1-28-20-16(21(27)24-12-13-4-3-9-23-11-13)7-8-17-18(20)19(26-25-17)14-5-2-6-15(22)10-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26)
InChIKeyMRZMFTLXUONRNR-UHFFFAOYSA-N
XLogP3.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (CID 23589680) is 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(-c3cccc(F)c3)c12.
What is the InChIKey of 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is MRZMFTLXUONRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-28-20-16(21(27)24-12-13-4-3-9-23-11-13)7-8-17-18(20)19(26-25-17)14-5-2-6-15(22)10-14/h2-11H,12H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).