7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol

C23H17ClFN9O — CID 146200472

IUPAC7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESNc1ccc(-c2cnc(C3(O)CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cnc43)[nH]2)c(F)n1
InChIInChI=1S/C23H17ClFN9O/c24-14-1-3-18(34-11-29-32-33-34)16(8-14)13-7-12-5-6-23(35,20(12)27-9-13)22-28-10-17(30-22)15-2-4-19(26)31-21(15)25/h1-4,7-11,35H,5-6H2,(H2,26,31)(H,28,30)
InChIKeyGZNYJGYLZRTFQL-UHFFFAOYSA-N
MW489.90 g/mol
LogP3.07
Rot. Bonds4

About 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol

7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol (PubChem CID 146200472) has the molecular formula C23H17ClFN9O and a molecular weight of 489.90 g/mol. Its IUPAC name is 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
PubChem CID146200472
Molecular FormulaC23H17ClFN9O
Molecular Weight489.90 g/mol
Exact Mass489.12
IUPAC Name7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESNc1ccc(-c2cnc(C3(O)CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cnc43)[nH]2)c(F)n1
InChIInChI=1S/C23H17ClFN9O/c24-14-1-3-18(34-11-29-32-33-34)16(8-14)13-7-12-5-6-23(35,20(12)27-9-13)22-28-10-17(30-22)15-2-4-19(26)31-21(15)25/h1-4,7-11,35H,5-6H2,(H2,26,31)(H,28,30)
InChIKeyGZNYJGYLZRTFQL-UHFFFAOYSA-N
XLogP3.07
TPSA144.31 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.90
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol with MolForge

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

Launch Full Analysis

Related Compounds

US10081617, Example 118
CID 122632613
US10081617, Example 106
CID 136215517
US20230295157, Example 107
CID 162684558
(3R,8aR)-7-[3-chloro-2-fluoro-6-(2H-tetrazol-1-ium-1-yl)phenyl]-3-[5-fluoro-4-[2-(1-hydroxycyclopropyl)-4-pyridinyl]-1H-imidazol-2-yl]-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 169058471
(3R,8aR)-7-[3-chloro-2-fluoro-6-(2H-tetrazol-1-ium-1-yl)phenyl]-3-[5-chloro-4-[2-(1-hydroxycyclopropyl)-4-pyridinyl]-1H-imidazol-2-yl]-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 169058640
US10081617, Example 72
CID 122623871
US10081617, Example 83
CID 122623874
US10081617, Example 60
CID 122623920
US10081617, Example 25
CID 122623922
US10081617, Example 77
CID 122623953
US10081617, Example 26
CID 122623962
US10081617, Example 67
CID 122632627

Frequently Asked Questions

What is the IUPAC name of 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The IUPAC name of 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol (CID 146200472) is 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The canonical SMILES for 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol is Nc1ccc(-c2cnc(C3(O)CCc4cc(-c5cc(Cl)ccc5-n5cnnn5)cnc43)[nH]2)c(F)n1.
What is the InChIKey of 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The InChIKey is GZNYJGYLZRTFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN9O/c24-14-1-3-18(34-11-29-32-33-34)16(8-14)13-7-12-5-6-23(35,20(12)27-9-13)22-28-10-17(30-22)15-2-4-19(26)31-21(15)25/h1-4,7-11,35H,5-6H2,(H2,26,31)(H,28,30).
What are the key properties of 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol?
7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol has a molecular weight of 489.90 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-5,6-dihydrocyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 146200472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).