4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide

C25H25N5O — CID 5329349

IUPAC4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1
InChIInChI=1S/C25H25N5O/c26-25(31)29-14-12-28(13-15-29)18-19-6-8-20(9-7-19)22-10-11-30-23(17-27-24(30)16-22)21-4-2-1-3-5-21/h1-11,16-17H,12-15,18H2,(H2,26,31)
InChIKeyPSGYMDDKHDKWRJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.86
Rot. Bonds4

About 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide

4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 5329349) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID5329349
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1
InChIInChI=1S/C25H25N5O/c26-25(31)29-14-12-28(13-15-29)18-19-6-8-20(9-7-19)22-10-11-30-23(17-27-24(30)16-22)21-4-2-1-3-5-21/h1-11,16-17H,12-15,18H2,(H2,26,31)
InChIKeyPSGYMDDKHDKWRJ-UHFFFAOYSA-N
XLogP3.86
TPSA66.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide (CID 5329349) is 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide is NC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1.
What is the InChIKey of 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is PSGYMDDKHDKWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c26-25(31)29-14-12-28(13-15-29)18-19-6-8-20(9-7-19)22-10-11-30-23(17-27-24(30)16-22)21-4-2-1-3-5-21/h1-11,16-17H,12-15,18H2,(H2,26,31).
What are the key properties of 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide?
4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 5329349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).