6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H30ClF2N5O2 — CID 90114362

IUPAC6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCN1CCN(C(C)C)CC1
InChIInChI=1S/C25H30ClF2N5O2/c1-16(2)32-11-9-31(10-12-32)8-7-29-25(34)23-17(3)30-24-22(13-18(26)14-33(23)24)35-15-19-20(27)5-4-6-21(19)28/h4-6,13-14,16H,7-12,15H2,1-3H3,(H,29,34)
InChIKeyFDDXWTJRNOMXQH-UHFFFAOYSA-N
MW506.00 g/mol
LogP3.91
Rot. Bonds8

About 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90114362) has the molecular formula C25H30ClF2N5O2 and a molecular weight of 506.00 g/mol. Its IUPAC name is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90114362
Molecular FormulaC25H30ClF2N5O2
Molecular Weight506.00 g/mol
Exact Mass505.21
IUPAC Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCN1CCN(C(C)C)CC1
InChIInChI=1S/C25H30ClF2N5O2/c1-16(2)32-11-9-31(10-12-32)8-7-29-25(34)23-17(3)30-24-22(13-18(26)14-33(23)24)35-15-19-20(27)5-4-6-21(19)28/h4-6,13-14,16H,7-12,15H2,1-3H3,(H,29,34)
InChIKeyFDDXWTJRNOMXQH-UHFFFAOYSA-N
XLogP3.91
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.00
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90114362) is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)NCCN1CCN(C(C)C)CC1.
What is the InChIKey of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FDDXWTJRNOMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClF2N5O2/c1-16(2)32-11-9-31(10-12-32)8-7-29-25(34)23-17(3)30-24-22(13-18(26)14-33(23)24)35-15-19-20(27)5-4-6-21(19)28/h4-6,13-14,16H,7-12,15H2,1-3H3,(H,29,34).
What are the key properties of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 506.00 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90114362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).