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

C25H22FN3O4 — CID 71478863

IUPACN-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3ccccc3F)cccn2c1C(=O)N[C@@H]1c2ccccc2[C@H](O)[C@H]1O
InChIInChI=1S/C25H22FN3O4/c1-14-21(25(32)28-20-16-8-3-4-9-17(16)22(30)23(20)31)29-12-6-11-19(24(29)27-14)33-13-15-7-2-5-10-18(15)26/h2-12,20,22-23,30-31H,13H2,1H3,(H,28,32)/t20-,22+,23+/m1/s1
InChIKeyQCHZBMLFHACASF-PUHATCMVSA-N
MW447.47 g/mol
LogP3.24
Rot. Bonds5

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

N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71478863) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71478863
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC NameN-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3ccccc3F)cccn2c1C(=O)N[C@@H]1c2ccccc2[C@H](O)[C@H]1O
InChIInChI=1S/C25H22FN3O4/c1-14-21(25(32)28-20-16-8-3-4-9-17(16)22(30)23(20)31)29-12-6-11-19(24(29)27-14)33-13-15-7-2-5-10-18(15)26/h2-12,20,22-23,30-31H,13H2,1H3,(H,28,32)/t20-,22+,23+/m1/s1
InChIKeyQCHZBMLFHACASF-PUHATCMVSA-N
XLogP3.24
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 71478863) is N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3ccccc3F)cccn2c1C(=O)N[C@@H]1c2ccccc2[C@H](O)[C@H]1O.
What is the InChIKey of N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QCHZBMLFHACASF-PUHATCMVSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-14-21(25(32)28-20-16-8-3-4-9-17(16)22(30)23(20)31)29-12-6-11-19(24(29)27-14)33-13-15-7-2-5-10-18(15)26/h2-12,20,22-23,30-31H,13H2,1H3,(H,28,32)/t20-,22+,23+/m1/s1.
What are the key properties of N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3S)-2,3-dihydroxy-2,3-dihydro-1H-inden-1-yl]-8-[(2-fluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71478863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).