3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine

C24H31N7 — CID 155410903

IUPAC3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine
SMILESCCC(N)(CC)Cn1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21
InChIInChI=1S/C24H31N7/c1-3-24(25,4-2)18-30-12-10-19-8-9-21(27-23(19)30)28-14-16-29(17-15-28)22-7-5-6-20-26-11-13-31(20)22/h5-13H,3-4,14-18,25H2,1-2H3
InChIKeyKMNVPXRRIXAHQA-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.53
Rot. Bonds6

About 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine

3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine (PubChem CID 155410903) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine
PubChem CID155410903
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC Name3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine
SMILESCCC(N)(CC)Cn1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21
InChIInChI=1S/C24H31N7/c1-3-24(25,4-2)18-30-12-10-19-8-9-21(27-23(19)30)28-14-16-29(17-15-28)22-7-5-6-20-26-11-13-31(20)22/h5-13H,3-4,14-18,25H2,1-2H3
InChIKeyKMNVPXRRIXAHQA-UHFFFAOYSA-N
XLogP3.53
TPSA67.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine 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-(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
6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-1-[2-(4-methylphenyl)sulfanyloxyethyl]pyrrolo[2,3-b]pyridine
CID 139422109
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-[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-(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-yl-3-propylazetidin-3-amine
CID 102627175
2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-2-methylpropanethioamide
CID 102625206
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

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine?
The IUPAC name of 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) is 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine.
What is the SMILES notation for 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine?
The canonical SMILES for 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine is CCC(N)(CC)Cn1ccc2ccc(N3CCN(c4cccc5nccn45)CC3)nc21.
What is the InChIKey of 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine?
The InChIKey is KMNVPXRRIXAHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7/c1-3-24(25,4-2)18-30-12-10-19-8-9-21(27-23(19)30)28-14-16-29(17-15-28)22-7-5-6-20-26-11-13-31(20)22/h5-13H,3-4,14-18,25H2,1-2H3.
What are the key properties of 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine?
3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine has a molecular weight of 417.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]pentan-3-amine is sourced from PubChem (CID 155410903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).