8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C26H23F2N3O4 — CID 90090966

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@]1(CO)c2ccccc2C[C@H]1O
InChIInChI=1S/C26H23F2N3O4/c1-15-23(25(34)30-26(14-32)18-7-3-2-6-16(18)12-22(26)33)31-11-5-10-21(24(31)29-15)35-13-17-19(27)8-4-9-20(17)28/h2-11,22,32-33H,12-14H2,1H3,(H,30,34)/t22-,26-/m1/s1
InChIKeyGPBOULUXSMUQGC-ATIYNZHBSA-N
MW479.48 g/mol
LogP3.03
Rot. Bonds6

About 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090966) has the molecular formula C26H23F2N3O4 and a molecular weight of 479.48 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90090966
Molecular FormulaC26H23F2N3O4
Molecular Weight479.48 g/mol
Exact Mass479.17
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@]1(CO)c2ccccc2C[C@H]1O
InChIInChI=1S/C26H23F2N3O4/c1-15-23(25(34)30-26(14-32)18-7-3-2-6-16(18)12-22(26)33)31-11-5-10-21(24(31)29-15)35-13-17-19(27)8-4-9-20(17)28/h2-11,22,32-33H,12-14H2,1H3,(H,30,34)/t22-,26-/m1/s1
InChIKeyGPBOULUXSMUQGC-ATIYNZHBSA-N
XLogP3.03
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 90090966) is 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@]1(CO)c2ccccc2C[C@H]1O.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GPBOULUXSMUQGC-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H23F2N3O4/c1-15-23(25(34)30-26(14-32)18-7-3-2-6-16(18)12-22(26)33)31-11-5-10-21(24(31)29-15)35-13-17-19(27)8-4-9-20(17)28/h2-11,22,32-33H,12-14H2,1H3,(H,30,34)/t22-,26-/m1/s1.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 479.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).