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

C28H33N9 — CID 139415724

IUPAC6-(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
SMILESCn1ccnc1C1CCN(CCn2ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc32)C1
InChIInChI=1S/C28H33N9/c1-32-13-9-30-27(32)23-7-11-33(21-23)15-16-36-12-8-22-5-6-25(31-28(22)36)34-17-19-35(20-18-34)26-4-2-3-24-29-10-14-37(24)26/h2-6,8-10,12-14,23H,7,11,15-21H2,1H3
InChIKeyFEEDISIKQNEIPO-UHFFFAOYSA-N
MW495.64 g/mol
LogP3.23
Rot. Bonds6

About 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

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 (PubChem CID 139415724) has the molecular formula C28H33N9 and a molecular weight of 495.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID139415724
Molecular FormulaC28H33N9
Molecular Weight495.64 g/mol
Exact Mass495.29
IUPAC Name6-(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
SMILESCn1ccnc1C1CCN(CCn2ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc32)C1
InChIInChI=1S/C28H33N9/c1-32-13-9-30-27(32)23-7-11-33(21-23)15-16-36-12-8-22-5-6-25(31-28(22)36)34-17-19-35(20-18-34)26-4-2-3-24-29-10-14-37(24)26/h2-6,8-10,12-14,23H,7,11,15-21H2,1H3
InChIKeyFEEDISIKQNEIPO-UHFFFAOYSA-N
XLogP3.23
TPSA62.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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
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
6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridine
CID 139415693
N-[(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 102626956
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
2-(1-imidazo[1,2-a]pyridin-5-ylpiperidin-4-yl)-N-methylethanamine
CID 102626099

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1ccnc1C1CCN(CCn2ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc32)C1.
What is the InChIKey of 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?
The InChIKey is FEEDISIKQNEIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N9/c1-32-13-9-30-27(32)23-7-11-33(21-23)15-16-36-12-8-22-5-6-25(31-28(22)36)34-17-19-35(20-18-34)26-4-2-3-24-29-10-14-37(24)26/h2-6,8-10,12-14,23H,7,11,15-21H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 495.64 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 9 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-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139415724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).