(1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid

C21H17ClN2O2 — CID 162666631

IUPAC(1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNc1ncc(-c2ccc3c(c2)CC[C@@H]3C(=O)O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O2/c22-16-5-1-12(2-6-16)19-10-15(11-24-20(19)23)13-3-7-17-14(9-13)4-8-18(17)21(25)26/h1-3,5-7,9-11,18H,4,8H2,(H2,23,24)(H,25,26)/t18-/m0/s1
InChIKeyGWSFVTDGWLQLIO-SFHVURJKSA-N
MW364.83 g/mol
LogP4.77
Rot. Bonds3

About (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid

(1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 162666631) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID162666631
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name(1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESNc1ncc(-c2ccc3c(c2)CC[C@@H]3C(=O)O)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O2/c22-16-5-1-12(2-6-16)19-10-15(11-24-20(19)23)13-3-7-17-14(9-13)4-8-18(17)21(25)26/h1-3,5-7,9-11,18H,4,8H2,(H2,23,24)(H,25,26)/t18-/m0/s1
InChIKeyGWSFVTDGWLQLIO-SFHVURJKSA-N
XLogP4.77
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 162666631) is (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid is Nc1ncc(-c2ccc3c(c2)CC[C@@H]3C(=O)O)cc1-c1ccc(Cl)cc1.
What is the InChIKey of (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is GWSFVTDGWLQLIO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-16-5-1-12(2-6-16)19-10-15(11-24-20(19)23)13-3-7-17-14(9-13)4-8-18(17)21(25)26/h1-3,5-7,9-11,18H,4,8H2,(H2,23,24)(H,25,26)/t18-/m0/s1.
What are the key properties of (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid?
(1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 364.83 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 162666631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).