[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C24H26FN5O — CID 138561279

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccn3c2C)cc2ccc(F)cc21
InChIInChI=1S/C24H26FN5O/c1-3-29-20-13-18(25)7-6-16(20)11-21(29)23-15(2)30-10-8-17(12-22(30)27-23)24(31)28-9-4-5-19(26)14-28/h6-8,10-13,19H,3-5,9,14,26H2,1-2H3/t19-/m1/s1
InChIKeyACRAGHMVJLXXBT-LJQANCHMSA-N
MW419.50 g/mol
LogP3.99
Rot. Bonds3

About [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138561279) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138561279
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccn3c2C)cc2ccc(F)cc21
InChIInChI=1S/C24H26FN5O/c1-3-29-20-13-18(25)7-6-16(20)11-21(29)23-15(2)30-10-8-17(12-22(30)27-23)24(31)28-9-4-5-19(26)14-28/h6-8,10-13,19H,3-5,9,14,26H2,1-2H3/t19-/m1/s1
InChIKeyACRAGHMVJLXXBT-LJQANCHMSA-N
XLogP3.99
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
[(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]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562828
(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 155011359
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-(1-methylindol-2-yl)imidazo[1,2-a]pyridin-7-yl]methanone
CID 138561077
(3-aminopiperidin-1-yl)-[3-methyl-2-(1-methylindol-2-yl)imidazo[1,2-a]pyridin-7-yl]methanone
CID 138561079
(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138560570
[(3R)-3-aminopiperidin-1-yl]-[2-(2-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578596
(3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562799
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-4-[(1Z)-3-fluorobuta-1,3-dienyl]-5-methylpyrrol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 167262267
(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138579218
1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138578606

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138561279) is [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccn3c2C)cc2ccc(F)cc21.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is ACRAGHMVJLXXBT-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-3-29-20-13-18(25)7-6-16(20)11-21(29)23-15(2)30-10-8-17(12-22(30)27-23)24(31)28-9-4-5-19(26)14-28/h6-8,10-13,19H,3-5,9,14,26H2,1-2H3/t19-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 419.50 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138561279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).