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

C29H31N7 — CID 139415984

IUPAC2-[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
SMILESc1ccc2c(c1)CCN(CCn1ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc31)C2
InChIInChI=1S/C29H31N7/c1-2-5-25-22-32(13-10-23(25)4-1)16-17-35-14-11-24-8-9-27(31-29(24)35)33-18-20-34(21-19-33)28-7-3-6-26-30-12-15-36(26)28/h1-9,11-12,14-15H,10,13,16-22H2
InChIKeyBRXIULDSMQZRKH-UHFFFAOYSA-N
MW477.62 g/mol
LogP4.07
Rot. Bonds5

About 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

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 (PubChem CID 139415984) has the molecular formula C29H31N7 and a molecular weight of 477.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID139415984
Molecular FormulaC29H31N7
Molecular Weight477.62 g/mol
Exact Mass477.26
IUPAC Name2-[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
SMILESc1ccc2c(c1)CCN(CCn1ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc31)C2
InChIInChI=1S/C29H31N7/c1-2-5-25-22-32(13-10-23(25)4-1)16-17-35-14-11-24-8-9-27(31-29(24)35)33-18-20-34(21-19-33)28-7-3-6-26-30-12-15-36(26)28/h1-9,11-12,14-15H,10,13,16-22H2
InChIKeyBRXIULDSMQZRKH-UHFFFAOYSA-N
XLogP4.07
TPSA44.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.62
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 141140259
1-imidazo[1,2-a]pyridin-5-ylpiperidin-3-one
CID 102625213
N-[(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 102626956
5-[4-(azetidin-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 102626147
6-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 139415838
2-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-N-methylethanamine
CID 102626099

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)CCN(CCn1ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc31)C2.
What is the InChIKey of 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?
The InChIKey is BRXIULDSMQZRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7/c1-2-5-25-22-32(13-10-23(25)4-1)16-17-35-14-11-24-8-9-27(31-29(24)35)33-18-20-34(21-19-33)28-7-3-6-26-30-12-15-36(26)28/h1-9,11-12,14-15H,10,13,16-22H2.
What are the key properties of 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?
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 has a molecular weight of 477.62 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139415984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).