3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine

C27H32N4 — CID 110311696

IUPAC3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine
SMILESCC(C)c1ccc(-c2nc3ccc(N)cn3c2CN(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C27H32N4/c1-19(2)22-10-12-23(13-11-22)27-25(31-17-24(28)14-15-26(31)29-27)18-30(20(3)4)16-21-8-6-5-7-9-21/h5-15,17,19-20H,16,18,28H2,1-4H3
InChIKeyPUBWTDPNPSGSPW-UHFFFAOYSA-N
MW412.58 g/mol
LogP6.12
Rot. Bonds7

About 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine

3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine (PubChem CID 110311696) has the molecular formula C27H32N4 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine
PubChem CID110311696
Molecular FormulaC27H32N4
Molecular Weight412.58 g/mol
Exact Mass412.26
IUPAC Name3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine
SMILESCC(C)c1ccc(-c2nc3ccc(N)cn3c2CN(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C27H32N4/c1-19(2)22-10-12-23(13-11-22)27-25(31-17-24(28)14-15-26(31)29-27)18-30(20(3)4)16-21-8-6-5-7-9-21/h5-15,17,19-20H,16,18,28H2,1-4H3
InChIKeyPUBWTDPNPSGSPW-UHFFFAOYSA-N
XLogP6.12
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine (CID 110311696) is 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine is CC(C)c1ccc(-c2nc3ccc(N)cn3c2CN(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine?
The InChIKey is PUBWTDPNPSGSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4/c1-19(2)22-10-12-23(13-11-22)27-25(31-17-24(28)14-15-26(31)29-27)18-30(20(3)4)16-21-8-6-5-7-9-21/h5-15,17,19-20H,16,18,28H2,1-4H3.
What are the key properties of 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine?
3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine has a molecular weight of 412.58 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 110311696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).