(3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one

C24H19Cl2N9O — CID 118106601

About (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one

(3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one (PubChem CID 118106601) has the molecular formula C24H19Cl2N9O and a molecular weight of 520.38 g/mol. Its IUPAC name is (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

• Compound Name: (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one
• PubChem CID: 118106601
• Molecular Formula: C24H19Cl2N9O
• Molecular Weight: 520.38 g/mol
• Exact Mass: 519.11
• IUPAC Name: (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one
• SMILES: Cc1cc(N)ncc1-c1nc([C@@H]2CCc3cc(-c4cc(Cl)ccc4-n4cnnn4)cc(=O)n32)[nH]c1Cl
• InChI: InChI=1S/C24H19Cl2N9O/c1-12-6-20(27)28-10-17(12)22-23(26)31-24(30-22)19-5-3-15-7-13(8-21(36)35(15)19)16-9-14(25)2-4-18(16)34-11-29-32-33-34/h2,4,6-11,19H,3,5H2,1H3,(H2,27,28)(H,30,31)/t19-/m0/s1
• InChIKey: YPACEDIAXIDVFT-IBGZPJMESA-N
• XLogP: 4.01
• TPSA: 133.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.38
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one?

The IUPAC name of (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one (CID 118106601) is (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one.

What is the SMILES notation for (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one?

The canonical SMILES for (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one is Cc1cc(N)ncc1-c1nc([C@@H]2CCc3cc(-c4cc(Cl)ccc4-n4cnnn4)cc(=O)n32)[nH]c1Cl.

What is the InChIKey of (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one?

The InChIKey is YPACEDIAXIDVFT-IBGZPJMESA-N. The full InChI is InChI=1S/C24H19Cl2N9O/c1-12-6-20(27)28-10-17(12)22-23(26)31-24(30-22)19-5-3-15-7-13(8-21(36)35(15)19)16-9-14(25)2-4-18(16)34-11-29-32-33-34/h2,4,6-11,19H,3,5H2,1H3,(H2,27,28)(H,30,31)/t19-/m0/s1.

What are the key properties of (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one?

(3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 520.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[4-(6-amino-4-methyl-3-pyridinyl)-5-chloro-1H-imidazol-2-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 118106601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).