3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one

C25H22ClF2N3O4 — CID 148867570

IUPAC3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(CO)(CO)c1ccc(Cl)cn1
InChIInChI=1S/C25H22ClF2N3O4/c1-15-23(20(34)10-25(13-32,14-33)22-8-7-16(26)11-29-22)31-9-3-6-21(24(31)30-15)35-12-17-18(27)4-2-5-19(17)28/h2-9,11,32-33H,10,12-14H2,1H3
InChIKeyPANGSSFCDDROAE-UHFFFAOYSA-N
MW501.92 g/mol
LogP4.04
Rot. Bonds9

About 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one

3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one (PubChem CID 148867570) has the molecular formula C25H22ClF2N3O4 and a molecular weight of 501.92 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one
PubChem CID148867570
Molecular FormulaC25H22ClF2N3O4
Molecular Weight501.92 g/mol
Exact Mass501.13
IUPAC Name3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(CO)(CO)c1ccc(Cl)cn1
InChIInChI=1S/C25H22ClF2N3O4/c1-15-23(20(34)10-25(13-32,14-33)22-8-7-16(26)11-29-22)31-9-3-6-21(24(31)30-15)35-12-17-18(27)4-2-5-19(17)28/h2-9,11,32-33H,10,12-14H2,1H3
InChIKeyPANGSSFCDDROAE-UHFFFAOYSA-N
XLogP4.04
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.92
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one (CID 148867570) is 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)CC(CO)(CO)c1ccc(Cl)cn1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one?
The InChIKey is PANGSSFCDDROAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N3O4/c1-15-23(20(34)10-25(13-32,14-33)22-8-7-16(26)11-29-22)31-9-3-6-21(24(31)30-15)35-12-17-18(27)4-2-5-19(17)28/h2-9,11,32-33H,10,12-14H2,1H3.
What are the key properties of 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one?
3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one has a molecular weight of 501.92 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one is sourced from PubChem (CID 148867570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).