3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide

C20H20FN3O2 — CID 58582130

IUPAC3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCCO2)cc2c(-c3cccc(F)c3)[nH]nc12
InChIInChI=1S/C20H20FN3O2/c1-12-8-14(20(25)22-11-16-6-3-7-26-16)10-17-18(12)23-24-19(17)13-4-2-5-15(21)9-13/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyLXRXSMAXYQWJEG-MRXNPFEDSA-N
MW353.40 g/mol
LogP3.59
Rot. Bonds4

About 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide

3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide (PubChem CID 58582130) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
PubChem CID58582130
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCCO2)cc2c(-c3cccc(F)c3)[nH]nc12
InChIInChI=1S/C20H20FN3O2/c1-12-8-14(20(25)22-11-16-6-3-7-26-16)10-17-18(12)23-24-19(17)13-4-2-5-15(21)9-13/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,22,25)(H,23,24)/t16-/m1/s1
InChIKeyLXRXSMAXYQWJEG-MRXNPFEDSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 58582177
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 50783456
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19510216
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 24712301
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide (CID 58582130) is 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide is Cc1cc(C(=O)NC[C@H]2CCCO2)cc2c(-c3cccc(F)c3)[nH]nc12.
What is the InChIKey of 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide?
The InChIKey is LXRXSMAXYQWJEG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-8-14(20(25)22-11-16-6-3-7-26-16)10-17-18(12)23-24-19(17)13-4-2-5-15(21)9-13/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,22,25)(H,23,24)/t16-/m1/s1.
What are the key properties of 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide?
3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 58582130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).