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

C30H31N5O — CID 138562799

IUPAC(3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccn3c2C)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C30H31N5O/c1-3-34-25-14-8-7-13-24(25)27(21-10-5-4-6-11-21)29(34)28-20(2)35-17-15-22(18-26(35)32-28)30(36)33-16-9-12-23(31)19-33/h4-8,10-11,13-15,17-18,23H,3,9,12,16,19,31H2,1-2H3
InChIKeyABNCWOXRPBPWQL-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.51
Rot. Bonds4

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

(3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138562799) has the molecular formula C30H31N5O and a molecular weight of 477.61 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138562799
Molecular FormulaC30H31N5O
Molecular Weight477.61 g/mol
Exact Mass477.25
IUPAC Name(3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccn3c2C)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C30H31N5O/c1-3-34-25-14-8-7-13-24(25)27(21-10-5-4-6-11-21)29(34)28-20(2)35-17-15-22(18-26(35)32-28)30(36)33-16-9-12-23(31)19-33/h4-8,10-11,13-15,17-18,23H,3,9,12,16,19,31H2,1-2H3
InChIKeyABNCWOXRPBPWQL-UHFFFAOYSA-N
XLogP5.51
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-(2-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578596
[(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]-[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-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
(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-(cyclopropylmethyl)-5-fluoroindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578778
(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
tert-butyl N-[1-[2-[3-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
CID 175024591
[(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
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 (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138562799) is (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is CCn1c(-c2nc3cc(C(=O)N4CCCC(N)C4)ccn3c2C)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is ABNCWOXRPBPWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O/c1-3-34-25-14-8-7-13-24(25)27(21-10-5-4-6-11-21)29(34)28-20(2)35-17-15-22(18-26(35)32-28)30(36)33-16-9-12-23(31)19-33/h4-8,10-11,13-15,17-18,23H,3,9,12,16,19,31H2,1-2H3.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
(3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 477.61 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(1-ethyl-3-phenylindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138562799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).