(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

C22H21ClFN3O3 — CID 162637345

IUPAC(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
SMILESCOc1cccc2c1C1(CCN(C(=O)c3nc4ccc(Cl)cn4c3F)CC1)OCC2
InChIInChI=1S/C22H21ClFN3O3/c1-29-16-4-2-3-14-7-12-30-22(18(14)16)8-10-26(11-9-22)21(28)19-20(24)27-13-15(23)5-6-17(27)25-19/h2-6,13H,7-12H2,1H3
InChIKeyRLMOTRJEHHOWPO-UHFFFAOYSA-N
MW429.88 g/mol
LogP3.84
Rot. Bonds2

About (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone (PubChem CID 162637345) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
PubChem CID162637345
Molecular FormulaC22H21ClFN3O3
Molecular Weight429.88 g/mol
Exact Mass429.13
IUPAC Name(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
SMILESCOc1cccc2c1C1(CCN(C(=O)c3nc4ccc(Cl)cn4c3F)CC1)OCC2
InChIInChI=1S/C22H21ClFN3O3/c1-29-16-4-2-3-14-7-12-30-22(18(14)16)8-10-26(11-9-22)21(28)19-20(24)27-13-15(23)5-6-17(27)25-19/h2-6,13H,7-12H2,1H3
InChIKeyRLMOTRJEHHOWPO-UHFFFAOYSA-N
XLogP3.84
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone with MolForge

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Related Compounds

(5-chloro-2-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135113554
(2-chlorophenyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135098887
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018467
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone
CID 135095604
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 162633217
(4,6-dimethylpyrimidin-5-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135095343
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1,2-oxazol-3-yl)methanone
CID 135092256
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(1H-pyrazol-4-yl)methanone
CID 135104777
imidazo[2,1-b][1,3]thiazol-6-yl-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135107101
(2-methoxy-4-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135104461
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
CID 135119505
(1,5-dimethylpyrazol-3-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135118194

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone (CID 162637345) is (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone is COc1cccc2c1C1(CCN(C(=O)c3nc4ccc(Cl)cn4c3F)CC1)OCC2.
What is the InChIKey of (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone?
The InChIKey is RLMOTRJEHHOWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c1-29-16-4-2-3-14-7-12-30-22(18(14)16)8-10-26(11-9-22)21(28)19-20(24)27-13-15(23)5-6-17(27)25-19/h2-6,13H,7-12H2,1H3.
What are the key properties of (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone?
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone has a molecular weight of 429.88 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 162637345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).