1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine

C29H30N6 — CID 138578606

IUPAC1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
SMILESC=C(c1ccn2c(C)c(-c3cc4ccccc4n3Cc3cccnc3)nc2c1)N1CCCC(N)C1
InChIInChI=1S/C29H30N6/c1-20(33-13-6-9-25(30)19-33)23-11-14-34-21(2)29(32-28(34)16-23)27-15-24-8-3-4-10-26(24)35(27)18-22-7-5-12-31-17-22/h3-5,7-8,10-12,14-17,25H,1,6,9,13,18-19,30H2,2H3
InChIKeyXLXYWSLFKKOWRB-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.10
Rot. Bonds5

About 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine

1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine (PubChem CID 138578606) has the molecular formula C29H30N6 and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
PubChem CID138578606
Molecular FormulaC29H30N6
Molecular Weight462.60 g/mol
Exact Mass462.25
IUPAC Name1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
SMILESC=C(c1ccn2c(C)c(-c3cc4ccccc4n3Cc3cccnc3)nc2c1)N1CCCC(N)C1
InChIInChI=1S/C29H30N6/c1-20(33-13-6-9-25(30)19-33)23-11-14-34-21(2)29(32-28(34)16-23)27-15-24-8-3-4-10-26(24)35(27)18-22-7-5-12-31-17-22/h3-5,7-8,10-12,14-17,25H,1,6,9,13,18-19,30H2,2H3
InChIKeyXLXYWSLFKKOWRB-UHFFFAOYSA-N
XLogP5.10
TPSA64.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138579218
(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 155011359
1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138578765
[(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
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702932
(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-ethylpyrrolo[2,3-b]pyridin-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138562828
(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-(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]-[2-(2-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578596

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?
The IUPAC name of 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) is 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine.
What is the SMILES notation for 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?
The canonical SMILES for 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine is C=C(c1ccn2c(C)c(-c3cc4ccccc4n3Cc3cccnc3)nc2c1)N1CCCC(N)C1.
What is the InChIKey of 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?
The InChIKey is XLXYWSLFKKOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6/c1-20(33-13-6-9-25(30)19-33)23-11-14-34-21(2)29(32-28(34)16-23)27-15-24-8-3-4-10-26(24)35(27)18-22-7-5-12-31-17-22/h3-5,7-8,10-12,14-17,25H,1,6,9,13,18-19,30H2,2H3.
What are the key properties of 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine?
1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine has a molecular weight of 462.60 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine is sourced from PubChem (CID 138578606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).