(2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H18FN3O2 — CID 95777193

IUPAC(2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@H]1Cc3cccc(F)c3O1)C2
InChIInChI=1S/C17H18FN3O2/c1-10-8-21-9-12(5-6-15(21)19-10)20-17(22)14-7-11-3-2-4-13(18)16(11)23-14/h2-4,8,12,14H,5-7,9H2,1H3,(H,20,22)/t12-,14+/m0/s1
InChIKeyOWZQYFWDRZYUFD-GXTWGEPZSA-N
MW315.35 g/mol
LogP1.77
Rot. Bonds2

About (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 95777193) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID95777193
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@H]1Cc3cccc(F)c3O1)C2
InChIInChI=1S/C17H18FN3O2/c1-10-8-21-9-12(5-6-15(21)19-10)20-17(22)14-7-11-3-2-4-13(18)16(11)23-14/h2-4,8,12,14H,5-7,9H2,1H3,(H,20,22)/t12-,14+/m0/s1
InChIKeyOWZQYFWDRZYUFD-GXTWGEPZSA-N
XLogP1.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95765845
2,3-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95765797
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-thiophen-2-ylacetamide
CID 86772548
(3S)-1-cyclopentyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-5-oxopyrrolidine-3-carboxamide
CID 95137842
2-(3-methylphenyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95788774
(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 95771455
1-(cyclopropylmethyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 86772669
(3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide
CID 95765799
(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-2-ylpropanamide
CID 95773674
(2R)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylpropanamide
CID 95760029
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]butanamide
CID 129448698
(2S)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765991

Frequently Asked Questions

What is the IUPAC name of (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 95777193) is (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1Cc3cccc(F)c3O1)C2.
What is the InChIKey of (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is OWZQYFWDRZYUFD-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-10-8-21-9-12(5-6-15(21)19-10)20-17(22)14-7-11-3-2-4-13(18)16(11)23-14/h2-4,8,12,14H,5-7,9H2,1H3,(H,20,22)/t12-,14+/m0/s1.
What are the key properties of (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95777193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).