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

C27H33N7O — CID 139415704

IUPAC7-[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
SMILESc1cc(N2CCN(c3ccc4ccn(CCN5CCC6(CC5)COC6)c4n3)CC2)n2ccnc2c1
InChIInChI=1S/C27H33N7O/c1-2-23-28-9-13-34(23)25(3-1)32-18-16-31(17-19-32)24-5-4-22-6-10-33(26(22)29-24)15-14-30-11-7-27(8-12-30)20-35-21-27/h1-6,9-10,13H,7-8,11-12,14-21H2
InChIKeyBSIRLQMLEDKHTN-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.12
Rot. Bonds5

About 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

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 (PubChem CID 139415704) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID139415704
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name7-[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
SMILESc1cc(N2CCN(c3ccc4ccn(CCN5CCC6(CC5)COC6)c4n3)CC2)n2ccnc2c1
InChIInChI=1S/C27H33N7O/c1-2-23-28-9-13-34(23)25(3-1)32-18-16-31(17-19-32)24-5-4-22-6-10-33(26(22)29-24)15-14-30-11-7-27(8-12-30)20-35-21-27/h1-6,9-10,13H,7-8,11-12,14-21H2
InChIKeyBSIRLQMLEDKHTN-UHFFFAOYSA-N
XLogP3.12
TPSA54.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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
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
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
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
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-(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
2-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]ethenone
CID 175083243
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(N2CCN(c3ccc4ccn(CCN5CCC6(CC5)COC6)c4n3)CC2)n2ccnc2c1.
What is the InChIKey of 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?
The InChIKey is BSIRLQMLEDKHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-2-23-28-9-13-34(23)25(3-1)32-18-16-31(17-19-32)24-5-4-22-6-10-33(26(22)29-24)15-14-30-11-7-27(8-12-30)20-35-21-27/h1-6,9-10,13H,7-8,11-12,14-21H2.
What are the key properties of 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?
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 has a molecular weight of 471.61 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139415704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).