N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

C28H25ClF2N4O3 — CID 68650983

IUPACN-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CCO)Cc2c(F)cc(-c3cn4cccc(Cl)c4n3)cc2F)cc1C#N
InChIInChI=1S/C28H25ClF2N4O3/c1-16(2)38-26-6-5-17(10-19(26)14-32)28(37)33-20(7-9-36)13-21-23(30)11-18(12-24(21)31)25-15-35-8-3-4-22(29)27(35)34-25/h3-6,8,10-12,15-16,20,36H,7,9,13H2,1-2H3,(H,33,37)
InChIKeyQKTFGOMFYTYVJE-UHFFFAOYSA-N
MW538.98 g/mol
LogP5.32
Rot. Bonds9

About N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide (PubChem CID 68650983) has the molecular formula C28H25ClF2N4O3 and a molecular weight of 538.98 g/mol. Its IUPAC name is N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
PubChem CID68650983
Molecular FormulaC28H25ClF2N4O3
Molecular Weight538.98 g/mol
Exact Mass538.16
IUPAC NameN-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CCO)Cc2c(F)cc(-c3cn4cccc(Cl)c4n3)cc2F)cc1C#N
InChIInChI=1S/C28H25ClF2N4O3/c1-16(2)38-26-6-5-17(10-19(26)14-32)28(37)33-20(7-9-36)13-21-23(30)11-18(12-24(21)31)25-15-35-8-3-4-22(29)27(35)34-25/h3-6,8,10-12,15-16,20,36H,7,9,13H2,1-2H3,(H,33,37)
InChIKeyQKTFGOMFYTYVJE-UHFFFAOYSA-N
XLogP5.32
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.98
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?
The IUPAC name of N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide (CID 68650983) is N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(CCO)Cc2c(F)cc(-c3cn4cccc(Cl)c4n3)cc2F)cc1C#N.
What is the InChIKey of N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?
The InChIKey is QKTFGOMFYTYVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF2N4O3/c1-16(2)38-26-6-5-17(10-19(26)14-32)28(37)33-20(7-9-36)13-21-23(30)11-18(12-24(21)31)25-15-35-8-3-4-22(29)27(35)34-25/h3-6,8,10-12,15-16,20,36H,7,9,13H2,1-2H3,(H,33,37).
What are the key properties of N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?
N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide has a molecular weight of 538.98 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)-2,6-difluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide is sourced from PubChem (CID 68650983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).