3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide

C28H29ClFN3O3 — CID 68651578

IUPAC3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
SMILESCc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)c(F)c3)nc12
InChIInChI=1S/C28H29ClFN3O3/c1-17(2)36-26-9-8-21(14-23(26)29)28(35)31-22(10-12-34)13-19-6-7-20(15-24(19)30)25-16-33-11-4-5-18(3)27(33)32-25/h4-9,11,14-17,22,34H,10,12-13H2,1-3H3,(H,31,35)
InChIKeyQJGAGMUKKKSABO-UHFFFAOYSA-N
MW510.01 g/mol
LogP5.61
Rot. Bonds9

About 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide

3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 68651578) has the molecular formula C28H29ClFN3O3 and a molecular weight of 510.01 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID68651578
Molecular FormulaC28H29ClFN3O3
Molecular Weight510.01 g/mol
Exact Mass509.19
IUPAC Name3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
SMILESCc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)c(F)c3)nc12
InChIInChI=1S/C28H29ClFN3O3/c1-17(2)36-26-9-8-21(14-23(26)29)28(35)31-22(10-12-34)13-19-6-7-20(15-24(19)30)25-16-33-11-4-5-18(3)27(33)32-25/h4-9,11,14-17,22,34H,10,12-13H2,1-3H3,(H,31,35)
InChIKeyQJGAGMUKKKSABO-UHFFFAOYSA-N
XLogP5.61
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.01
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide (CID 68651578) is 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide is Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)c(F)c3)nc12.
What is the InChIKey of 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is QJGAGMUKKKSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN3O3/c1-17(2)36-26-9-8-21(14-23(26)29)28(35)31-22(10-12-34)13-19-6-7-20(15-24(19)30)25-16-33-11-4-5-18(3)27(33)32-25/h4-9,11,14-17,22,34H,10,12-13H2,1-3H3,(H,31,35).
What are the key properties of 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?
3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 510.01 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-fluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 68651578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).