8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C25H21F2N3O4 — CID 71479016

IUPAC8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3cccc(F)c3F)cccn2c1C(=O)NC1c2ccccc2[C@H](O)[C@H]1O
InChIInChI=1S/C25H21F2N3O4/c1-13-21(25(33)29-20-15-7-2-3-8-16(15)22(31)23(20)32)30-11-5-10-18(24(30)28-13)34-12-14-6-4-9-17(26)19(14)27/h2-11,20,22-23,31-32H,12H2,1H3,(H,29,33)/t20?,22-,23-/m0/s1
InChIKeyZUXQRVNFXHXKDV-FALYVICWSA-N
MW465.46 g/mol
LogP3.38
Rot. Bonds5

About 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71479016) has the molecular formula C25H21F2N3O4 and a molecular weight of 465.46 g/mol. Its IUPAC name is 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71479016
Molecular FormulaC25H21F2N3O4
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC Name8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3cccc(F)c3F)cccn2c1C(=O)NC1c2ccccc2[C@H](O)[C@H]1O
InChIInChI=1S/C25H21F2N3O4/c1-13-21(25(33)29-20-15-7-2-3-8-16(15)22(31)23(20)32)30-11-5-10-18(24(30)28-13)34-12-14-6-4-9-17(26)19(14)27/h2-11,20,22-23,31-32H,12H2,1H3,(H,29,33)/t20?,22-,23-/m0/s1
InChIKeyZUXQRVNFXHXKDV-FALYVICWSA-N
XLogP3.38
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 71479016) is 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3cccc(F)c3F)cccn2c1C(=O)NC1c2ccccc2[C@H](O)[C@H]1O.
What is the InChIKey of 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZUXQRVNFXHXKDV-FALYVICWSA-N. The full InChI is InChI=1S/C25H21F2N3O4/c1-13-21(25(33)29-20-15-7-2-3-8-16(15)22(31)23(20)32)30-11-5-10-18(24(30)28-13)34-12-14-6-4-9-17(26)19(14)27/h2-11,20,22-23,31-32H,12H2,1H3,(H,29,33)/t20?,22-,23-/m0/s1.
What are the key properties of 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,3-difluorophenyl)methoxy]-N-[(2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71479016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).