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

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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).