3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine

C51H50F2N4O4 — CID 163368603

IUPAC3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1cc2ncc(-c3ccc(OC(C)C)c(F)c3)n2cc1-c1ccc(OC(C)CCC(C)Oc2ccc(-c3cnc4ccc(-c5ccc(OC(C)C)cc5)cn34)cc2F)cc1
InChIInChI=1S/C51H50F2N4O4/c1-31(2)58-41-17-10-36(11-18-41)40-16-23-50-54-27-46(56(50)29-40)38-15-22-49(45(53)26-38)61-35(7)9-8-34(6)60-42-19-12-37(13-20-42)43-30-57-47(28-55-51(57)24-33(43)5)39-14-21-48(44(52)25-39)59-32(3)4/h10-32,34-35H,8-9H2,1-7H3
InChIKeyWONSOTBWPKFXJM-UHFFFAOYSA-N
MW820.98 g/mol
LogP12.83
Rot. Bonds15

About 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine

3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 163368603) has the molecular formula C51H50F2N4O4 and a molecular weight of 820.98 g/mol. Its IUPAC name is 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine
PubChem CID163368603
Molecular FormulaC51H50F2N4O4
Molecular Weight820.98 g/mol
Exact Mass820.38
IUPAC Name3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1cc2ncc(-c3ccc(OC(C)C)c(F)c3)n2cc1-c1ccc(OC(C)CCC(C)Oc2ccc(-c3cnc4ccc(-c5ccc(OC(C)C)cc5)cn34)cc2F)cc1
InChIInChI=1S/C51H50F2N4O4/c1-31(2)58-41-17-10-36(11-18-41)40-16-23-50-54-27-46(56(50)29-40)38-15-22-49(45(53)26-38)61-35(7)9-8-34(6)60-42-19-12-37(13-20-42)43-30-57-47(28-55-51(57)24-33(43)5)39-14-21-48(44(52)25-39)59-32(3)4/h10-32,34-35H,8-9H2,1-7H3
InChIKeyWONSOTBWPKFXJM-UHFFFAOYSA-N
XLogP12.83
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.98
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine (CID 163368603) is 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine is Cc1cc2ncc(-c3ccc(OC(C)C)c(F)c3)n2cc1-c1ccc(OC(C)CCC(C)Oc2ccc(-c3cnc4ccc(-c5ccc(OC(C)C)cc5)cn34)cc2F)cc1.
What is the InChIKey of 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is WONSOTBWPKFXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50F2N4O4/c1-31(2)58-41-17-10-36(11-18-41)40-16-23-50-54-27-46(56(50)29-40)38-15-22-49(45(53)26-38)61-35(7)9-8-34(6)60-42-19-12-37(13-20-42)43-30-57-47(28-55-51(57)24-33(43)5)39-14-21-48(44(52)25-39)59-32(3)4/h10-32,34-35H,8-9H2,1-7H3.
What are the key properties of 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 820.98 g/mol, XLogP of 12.83, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 163368603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).