4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide

C25H30ClN5O2 — CID 138515800

IUPAC4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide
SMILESCc1c(-c2cc(N3CCN(C(=O)CCC(=O)NC(C)C)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C25H30ClN5O2/c1-17(2)27-23(32)9-10-24(33)30-14-12-29(13-15-30)19-7-8-21(26)20(16-19)25-18(3)31-11-5-4-6-22(31)28-25/h4-8,11,16-17H,9-10,12-15H2,1-3H3,(H,27,32)
InChIKeyURIJSUVBUDUWIG-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.92
Rot. Bonds6

About 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide

4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide (PubChem CID 138515800) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide
PubChem CID138515800
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide
SMILESCc1c(-c2cc(N3CCN(C(=O)CCC(=O)NC(C)C)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C25H30ClN5O2/c1-17(2)27-23(32)9-10-24(33)30-14-12-29(13-15-30)19-7-8-21(26)20(16-19)25-18(3)31-11-5-4-6-22(31)28-25/h4-8,11,16-17H,9-10,12-15H2,1-3H3,(H,27,32)
InChIKeyURIJSUVBUDUWIG-UHFFFAOYSA-N
XLogP3.92
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide?
The IUPAC name of 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide (CID 138515800) is 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide?
The canonical SMILES for 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide is Cc1c(-c2cc(N3CCN(C(=O)CCC(=O)NC(C)C)CC3)ccc2Cl)nc2ccccn12.
What is the InChIKey of 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide?
The InChIKey is URIJSUVBUDUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-17(2)27-23(32)9-10-24(33)30-14-12-29(13-15-30)19-7-8-21(26)20(16-19)25-18(3)31-11-5-4-6-22(31)28-25/h4-8,11,16-17H,9-10,12-15H2,1-3H3,(H,27,32).
What are the key properties of 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide?
4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide has a molecular weight of 468.00 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-4-oxo-N-propan-2-ylbutanamide is sourced from PubChem (CID 138515800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).