trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid

C19H19FN2O2 — CID 158081193

IUPACtrans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1
InChIInChI=1S/C19H19FN2O2/c1-10-2-5-15(20)18-12(10)4-7-17(18)22-11-3-6-16(21-9-11)13-8-14(13)19(23)24/h2-3,5-6,9,13-14,17,22H,4,7-8H2,1H3,(H,23,24)/t13-,14-,17+/m0/s1
InChIKeyFMYXKRHBXMJYBW-GRDNDAEWSA-N
MW326.37 g/mol
LogP3.82
Rot. Bonds4

About trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid (PubChem CID 158081193) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid
PubChem CID158081193
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Nametrans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1
InChIInChI=1S/C19H19FN2O2/c1-10-2-5-15(20)18-12(10)4-7-17(18)22-11-3-6-16(21-9-11)13-8-14(13)19(23)24/h2-3,5-6,9,13-14,17,22H,4,7-8H2,1H3,(H,23,24)/t13-,14-,17+/m0/s1
InChIKeyFMYXKRHBXMJYBW-GRDNDAEWSA-N
XLogP3.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid (CID 158081193) is trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid is Cc1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1.
What is the InChIKey of trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid?
The InChIKey is FMYXKRHBXMJYBW-GRDNDAEWSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-10-2-5-15(20)18-12(10)4-7-17(18)22-11-3-6-16(21-9-11)13-8-14(13)19(23)24/h2-3,5-6,9,13-14,17,22H,4,7-8H2,1H3,(H,23,24)/t13-,14-,17+/m0/s1.
What are the key properties of trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[5-[[(1R)-7-fluoro-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 158081193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).