6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine

C29H31N7 — CID 139415708

IUPAC6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine
SMILESc1ccc(C2CCN2CCn2ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc32)cc1
InChIInChI=1S/C29H31N7/c1-2-5-23(6-3-1)25-12-15-32(25)17-22-35-14-11-24-9-10-27(31-29(24)35)33-18-20-34(21-19-33)28-8-4-7-26-30-13-16-36(26)28/h1-11,13-14,16,25H,12,15,17-22H2
InChIKeyMWUABDQBGBTCQG-UHFFFAOYSA-N
MW477.62 g/mol
LogP4.46
Rot. Bonds6

About 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine

6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine (PubChem CID 139415708) has the molecular formula C29H31N7 and a molecular weight of 477.62 g/mol. Its IUPAC name is 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine
PubChem CID139415708
Molecular FormulaC29H31N7
Molecular Weight477.62 g/mol
Exact Mass477.26
IUPAC Name6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine
SMILESc1ccc(C2CCN2CCn2ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc32)cc1
InChIInChI=1S/C29H31N7/c1-2-5-23(6-3-1)25-12-15-32(25)17-22-35-14-11-24-9-10-27(31-29(24)35)33-18-20-34(21-19-33)28-8-4-7-26-30-13-16-36(26)28/h1-11,13-14,16,25H,12,15,17-22H2
InChIKeyMWUABDQBGBTCQG-UHFFFAOYSA-N
XLogP4.46
TPSA44.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.62
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 139415984
6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolo[2,3-b]pyridine
CID 139415724
7-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]-2-oxa-7-azaspiro[3.5]nonane
CID 139415704
3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine
CID 155410903
6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(3-nitro-3-phenylcyclobutyl)ethyl]pyrrolo[2,3-b]pyridine
CID 163509600
tert-butyl N-[2-[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamate
CID 139410980
6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(4-methylphenyl)sulfanyloxyethyl]pyrrolo[2,3-b]pyridine
CID 139422109
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 141140259
N-[(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 102626956
2-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-N-methylethanamine
CID 102626099
5-[4-(azetidin-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 102626147
5-[2-(bromomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine
CID 102627084

Frequently Asked Questions

What is the IUPAC name of 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine (CID 139415708) is 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine is c1ccc(C2CCN2CCn2ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc32)cc1.
What is the InChIKey of 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine?
The InChIKey is MWUABDQBGBTCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7/c1-2-5-23(6-3-1)25-12-15-32(25)17-22-35-14-11-24-9-10-27(31-29(24)35)33-18-20-34(21-19-33)28-8-4-7-26-30-13-16-36(26)28/h1-11,13-14,16,25H,12,15,17-22H2.
What are the key properties of 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine?
6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine has a molecular weight of 477.62 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(2-phenylazetidin-1-yl)ethyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139415708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).