(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone

C24H28FN5O — CID 162730463

IUPAC(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCCn1c(C2=C(C)N3C=CC(C(=O)N4CCCC(N)C4)=CC3N2)cc2cc(F)ccc21
InChIInChI=1S/C24H28FN5O/c1-3-29-20-7-6-18(25)11-17(20)12-21(29)23-15(2)30-10-8-16(13-22(30)27-23)24(31)28-9-4-5-19(26)14-28/h6-8,10-13,19,22,27H,3-5,9,14,26H2,1-2H3
InChIKeyPOOUFZLCIBINAJ-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.12
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone

(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 162730463) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID162730463
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCCn1c(C2=C(C)N3C=CC(C(=O)N4CCCC(N)C4)=CC3N2)cc2cc(F)ccc21
InChIInChI=1S/C24H28FN5O/c1-3-29-20-7-6-18(25)11-17(20)12-21(29)23-15(2)30-10-8-16(13-22(30)27-23)24(31)28-9-4-5-19(26)14-28/h6-8,10-13,19,22,27H,3-5,9,14,26H2,1-2H3
InChIKeyPOOUFZLCIBINAJ-UHFFFAOYSA-N
XLogP3.12
TPSA66.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138561279
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-fluoroindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578778
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-fluoroindol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone
CID 138496355
[1-[2-(1-ethyl-5-fluoroindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175101015
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
1-[(3R)-3-aminopiperidin-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 176515261
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
CID 122703018
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methyl-7-(methylamino)benzimidazol-5-yl]methanone
CID 122703008
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone
CID 138492584
(3-aminopiperidin-1-yl)-[2-[6-ethyl-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 167262140

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone (CID 162730463) is (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone is CCn1c(C2=C(C)N3C=CC(C(=O)N4CCCC(N)C4)=CC3N2)cc2cc(F)ccc21.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is POOUFZLCIBINAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-3-29-20-7-6-18(25)11-17(20)12-21(29)23-15(2)30-10-8-16(13-22(30)27-23)24(31)28-9-4-5-19(26)14-28/h6-8,10-13,19,22,27H,3-5,9,14,26H2,1-2H3.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone?
(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 421.52 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(1-ethyl-5-fluoroindol-2-yl)-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 162730463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).