[4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

C30H39ClN4O3 — CID 155197014

IUPAC[4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2nc3n(c2Cl)CCC2(CCCCCCCC2)C3)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C30H39ClN4O3/c31-26-25(32-24-21-29(15-16-35(24)26)11-5-3-1-2-4-6-12-29)22-7-9-23(10-8-22)27(36)33-17-19-34(20-18-33)28(37)30(38)13-14-30/h7-10,38H,1-6,11-21H2
InChIKeyYNABUYLKPXBIAU-UHFFFAOYSA-N
MW539.12 g/mol
LogP5.08
Rot. Bonds3

About [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

[4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (PubChem CID 155197014) has the molecular formula C30H39ClN4O3 and a molecular weight of 539.12 g/mol. Its IUPAC name is [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
PubChem CID155197014
Molecular FormulaC30H39ClN4O3
Molecular Weight539.12 g/mol
Exact Mass538.27
IUPAC Name[4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2nc3n(c2Cl)CCC2(CCCCCCCC2)C3)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C30H39ClN4O3/c31-26-25(32-24-21-29(15-16-35(24)26)11-5-3-1-2-4-6-12-29)22-7-9-23(10-8-22)27(36)33-17-19-34(20-18-33)28(37)30(38)13-14-30/h7-10,38H,1-6,11-21H2
InChIKeyYNABUYLKPXBIAU-UHFFFAOYSA-N
XLogP5.08
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.12
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
[4-(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-fluorophenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 146244720
[4-(1-aminocyclobutanecarbonyl)piperazin-1-yl]-[4-(3-chlorospiro[7,8-dihydro-6H-imidazo[1,2-a]pyridine-5,1'-cyclodecane]-2-yl)phenyl]methanone
CID 139452161
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(2-hydroxyindazol-6-yl)phenyl]methanone
CID 139377111
[4-(3-aminoisoquinolin-6-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621612
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 86273883
[4-[4-(7-butyl-3-chloro-7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyridin-2-yl)benzoyl]piperazin-1-yl]-(oxetan-2-yl)methanone
CID 155197018
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-5-yl)phenyl]methanone
CID 118621508
[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]-[4-(1-methylindazol-6-yl)phenyl]methanone
CID 118621456
[4-(2-fluoro-3-hydroxyphenyl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 139377478
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[4-(1-methyltriazol-4-yl)phenyl]phenyl]methanone
CID 118621731

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone (CID 155197014) is [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2nc3n(c2Cl)CCC2(CCCCCCCC2)C3)cc1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is YNABUYLKPXBIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN4O3/c31-26-25(32-24-21-29(15-16-35(24)26)11-5-3-1-2-4-6-12-29)22-7-9-23(10-8-22)27(36)33-17-19-34(20-18-33)28(37)30(38)13-14-30/h7-10,38H,1-6,11-21H2.
What are the key properties of [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone?
[4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 539.12 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorospiro[6,8-dihydro-5H-imidazo[1,2-a]pyridine-7,1'-cyclononane]-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 155197014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).