[2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

C28H33N5O — CID 77421349

IUPAC[2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCCC3CCN3CCC(c4ncn5ccccc45)CC3)[nH]c2c1
InChIInChI=1S/C28H33N5O/c1-20-7-8-22-18-25(30-24(22)17-20)28(34)33-13-4-5-23(33)11-16-31-14-9-21(10-15-31)27-26-6-2-3-12-32(26)19-29-27/h2-3,6-8,12,17-19,21,23,30H,4-5,9-11,13-16H2,1H3
InChIKeyRLOAUZDDLZIKMO-UHFFFAOYSA-N
MW455.61 g/mol
LogP5.00
Rot. Bonds5

About [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone

[2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (PubChem CID 77421349) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
PubChem CID77421349
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC Name[2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCCC3CCN3CCC(c4ncn5ccccc45)CC3)[nH]c2c1
InChIInChI=1S/C28H33N5O/c1-20-7-8-22-18-25(30-24(22)17-20)28(34)33-13-4-5-23(33)11-16-31-14-9-21(10-15-31)27-26-6-2-3-12-32(26)19-29-27/h2-3,6-8,12,17-19,21,23,30H,4-5,9-11,13-16H2,1H3
InChIKeyRLOAUZDDLZIKMO-UHFFFAOYSA-N
XLogP5.00
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-[4-(6-fluoroindol-1-yl)piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 77421286
(4-fluorocyclohepta-1,3,6-trien-1-yl)-[1-[2-[1-(6-methyl-1H-indole-2-carbonyl)pyrrolidin-2-yl]ethyl]piperidin-4-yl]methanone
CID 123703831
(6-hydroxy-1H-indol-2-yl)-[2-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]azepan-1-yl]methanone
CID 123582249
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
(6-methoxy-1H-indol-2-yl)-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
CID 155882027
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
(5-methyl-1H-indol-2-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602704
2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135
2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197136
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 97007040
(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 110103570

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone (CID 77421349) is [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is Cc1ccc2cc(C(=O)N3CCCC3CCN3CCC(c4ncn5ccccc45)CC3)[nH]c2c1.
What is the InChIKey of [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
The InChIKey is RLOAUZDDLZIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-20-7-8-22-18-25(30-24(22)17-20)28(34)33-13-4-5-23(33)11-16-31-14-9-21(10-15-31)27-26-6-2-3-12-32(26)19-29-27/h2-3,6-8,12,17-19,21,23,30H,4-5,9-11,13-16H2,1H3.
What are the key properties of [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone?
[2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone has a molecular weight of 455.61 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-imidazo[1,5-a]pyridin-1-ylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 77421349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).