(2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one

C25H23ClFN9O — CID 174007037

IUPAC(2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESC[C@H]1Cc2cc(-c3cc(Cl)ccc3N3C=NN(C)N3)cc(=O)n2[C@@H]1c1ncc(-c2ccc(N)nc2F)[nH]1
InChIInChI=1S/C25H23ClFN9O/c1-13-7-16-8-14(18-10-15(26)3-5-20(18)35-12-30-34(2)33-35)9-22(37)36(16)23(13)25-29-11-19(31-25)17-4-6-21(28)32-24(17)27/h3-6,8-13,23,33H,7H2,1-2H3,(H2,28,32)(H,29,31)/t13-,23-/m0/s1
InChIKeyLEKSYRUGBMTYFS-NPMABZOXSA-N
MW519.97 g/mol
LogP3.57
Rot. Bonds4

About (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one

(2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one (PubChem CID 174007037) has the molecular formula C25H23ClFN9O and a molecular weight of 519.97 g/mol. Its IUPAC name is (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
PubChem CID174007037
Molecular FormulaC25H23ClFN9O
Molecular Weight519.97 g/mol
Exact Mass519.17
IUPAC Name(2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one
SMILESC[C@H]1Cc2cc(-c3cc(Cl)ccc3N3C=NN(C)N3)cc(=O)n2[C@@H]1c1ncc(-c2ccc(N)nc2F)[nH]1
InChIInChI=1S/C25H23ClFN9O/c1-13-7-16-8-14(18-10-15(26)3-5-20(18)35-12-30-34(2)33-35)9-22(37)36(16)23(13)25-29-11-19(31-25)17-4-6-21(28)32-24(17)27/h3-6,8-13,23,33H,7H2,1-2H3,(H2,28,32)(H,29,31)/t13-,23-/m0/s1
InChIKeyLEKSYRUGBMTYFS-NPMABZOXSA-N
XLogP3.57
TPSA120.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.97
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one (CID 174007037) is (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one is C[C@H]1Cc2cc(-c3cc(Cl)ccc3N3C=NN(C)N3)cc(=O)n2[C@@H]1c1ncc(-c2ccc(N)nc2F)[nH]1.
What is the InChIKey of (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is LEKSYRUGBMTYFS-NPMABZOXSA-N. The full InChI is InChI=1S/C25H23ClFN9O/c1-13-7-16-8-14(18-10-15(26)3-5-20(18)35-12-30-34(2)33-35)9-22(37)36(16)23(13)25-29-11-19(31-25)17-4-6-21(28)32-24(17)27/h3-6,8-13,23,33H,7H2,1-2H3,(H2,28,32)(H,29,31)/t13-,23-/m0/s1.
What are the key properties of (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one?
(2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 519.97 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-7-[5-chloro-2-(3-methyl-2H-tetrazol-1-yl)phenyl]-2-methyl-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 174007037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).